data_1orm_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 1orm _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' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t 177.61 71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 t -163.24 161.93 25.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 p -101.0 114.09 39.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -115.54 158.06 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.94 166.47 34.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.42 -132.5 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.62 151.83 47.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.56 107.9 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -84.15 146.77 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.45 132.65 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -143.67 88.65 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.4 160.51 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 78.17 17.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 72.6 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 43.95 72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.05 46.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.59 148.95 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.16 172.34 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.12 -175.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.21 -63.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.62 -179.11 29.37 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -116.65 134.68 54.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.5 112.14 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.34 124.58 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 128.93 49.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 3.9 p90 -155.03 121.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.34 -176.22 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -167.3 91.65 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -153.75 112.28 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.06 120.57 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 52.83 81.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 176.52 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -170.59 129.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 110.05 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.87 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -174.6 127.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.03 -166.79 11.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.98 99.86 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.754 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 40.5 mt -87.22 109.42 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.33 130.63 9.97 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.11 105.97 5.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -112.0 105.45 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -136.3 159.01 43.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.442 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -111.96 160.98 16.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -115.62 111.71 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -81.57 80.45 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.45 145.3 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 58' ' ' ASN . 70.3 m 61.3 -178.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.43 0.157 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 16.5 t-20 -174.78 159.73 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -133.51 172.54 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.43 157.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -101.83 176.25 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -94.14 143.51 26.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -131.99 126.88 35.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.3 137.1 9.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.12 105.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.2 m -95.9 151.3 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.54 155.78 32.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 40' ' ' ILE . . . 173.92 151.57 8.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.84 6.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.0 112.08 20.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.93 109.17 7.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -80.35 -62.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 74' ' ' ASN . 0.2 OUTLIER 46.34 -171.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 73' ' ' ILE . 1.4 t30 57.98 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.48 ' OD2' ' CD1' ' A' ' 76' ' ' TRP . 24.0 p-10 -46.98 -49.5 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.498 ' CE3' ' O ' ' A' ' 76' ' ' TRP . 55.6 p-90 -175.22 55.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.44 108.06 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 m -63.42 161.35 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -118.1 150.34 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -82.8 153.97 24.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.64 50.5 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 82' ' ' VAL . 18.0 m -114.94 92.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 m -97.77 150.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.6 149.92 21.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.8 p -135.31 139.59 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.93 151.41 17.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -176.66 156.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.69 179.65 30.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -103.51 77.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 37.1 p90 -155.17 129.23 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.0 m -45.02 111.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.97 162.33 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -108.02 118.47 36.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.79 152.39 30.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.46 94.16 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.1 t -113.99 115.56 27.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.53 153.48 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -119.39 179.7 16.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -113.82 161.94 16.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.78 120.37 6.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.72 71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -104.76 136.63 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.82 173.28 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.17 146.28 58.15 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.21 33.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -58.01 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.43 -58.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -171.33 74.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -170.9 141.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.47 100.84 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -117.3 144.74 44.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -117.04 101.67 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -129.7 124.95 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.58 125.51 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.89 133.52 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.55 156.47 47.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.4 169.38 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -154.8 48.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 134' ' ' SER . 5.4 mt -86.26 84.91 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.97 -66.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -166.16 74.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 75.3 t -128.67 134.34 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.83 120.32 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.5 136.12 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -127.64 92.46 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 10.2 t -94.8 158.36 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -137.3 95.31 3.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 108.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 8.4 tt -56.79 138.01 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -132.6 53.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -53.98 144.49 27.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 26.9 m -147.18 65.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.08 -168.15 12.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -88.06 177.48 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.67 138.34 44.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -178.2 153.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.487 ' CG2' ' O ' ' A' ' 4' ' ' THR . 1.8 m -165.65 56.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.426 ' HA ' ' CA ' ' A' ' 145' ' ' GLY . 28.2 t -80.06 145.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -178.57 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.29 127.95 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.92 98.69 0.13 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.1 162.43 13.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.95 149.3 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.11 82.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.59 -179.88 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -117.75 173.84 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.81 143.99 33.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.7 -65.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.65 -64.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.93 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 tpt -120.38 -43.24 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -167.35 146.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.03 133.35 37.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.6 ptm -90.03 162.21 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.2 124.38 3.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.33 148.74 17.75 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD2' HD11 ' A' ' 26' ' ' LEU . 4.5 t80 -140.6 121.49 14.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 28.3 t-20 -81.81 134.01 35.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -163.92 62.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -139.49 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -154.42 175.22 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -135.07 128.88 33.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 124.61 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -122.96 87.99 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -177.61 100.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 178.39 -65.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 179.19 38.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -136.71 141.51 35.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.15 10.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 178.78 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.62 172.65 28.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.96 44.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -176.9 148.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.78 55.34 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -157.81 94.27 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 25' ' ' ASN . 3.4 p90 -85.91 138.72 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -147.86 73.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -122.86 78.76 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.4 t -153.04 160.31 42.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' THR . 2.1 mm-40 165.32 149.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -49.65 139.34 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER 62.9 -175.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.515 0.197 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' OG ' ' A' ' 49' ' ' SER . 21.5 t30 -135.12 161.28 35.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -79.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.45 175.79 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -85.32 -179.01 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -110.92 121.44 45.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.01 94.25 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pt -112.57 136.89 47.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 67' ' ' ALA . 2.6 t -88.08 -161.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.407 ' N ' ' CG2' ' A' ' 66' ' ' THR . . . -171.83 82.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.47 82.24 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.61 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.3 135.84 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -81.39 -171.7 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -113.88 23.71 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.59 81.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -152.5 127.52 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -51.18 56.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -174.8 57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -162.8 148.88 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -83.24 168.75 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 tp -143.87 149.34 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -94.22 150.36 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 164.92 55.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.23 121.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.47 105.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.87 146.22 16.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.9 t -132.53 84.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.234 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.84 119.64 6.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 t80 170.98 134.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.56 -161.31 31.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -90.92 110.54 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 14.0 m-85 -164.25 -171.77 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -42.9 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER 74.66 -62.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -134.4 72.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.8 136.38 50.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.83 111.0 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p -124.73 106.21 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -129.11 149.57 50.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 126' ' ' SER . . . -142.9 144.24 13.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.5 141.65 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.43 79.71 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.97 120.32 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.54 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -159.22 93.56 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -175.52 120.05 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.811 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 mtt -168.49 74.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.25 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.4 -22.86 67.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.98 109.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.39 153.83 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.5 mp -130.29 100.77 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -113.05 173.51 6.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -164.09 149.48 10.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.43 ' HB2' ' CA ' ' A' ' 110' ' ' GLY . 17.4 p -138.25 150.26 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 127' ' ' TYR . 24.2 p90 -109.33 122.68 47.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.07 122.37 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -109.63 147.29 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.01 134.51 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.039 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -102.01 32.54 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.5 pt -103.2 53.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 54.89 48.28 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.436 ' O ' ' CG2' ' A' ' 135' ' ' VAL . 3.2 m -133.87 -64.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 134' ' ' SER . 16.8 m 45.83 35.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -145.94 34.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.43 102.64 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -86.69 140.01 16.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.9 m -150.37 101.15 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.383 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 53.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.58 -177.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -152.74 89.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.83 127.26 27.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.4 123.17 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 5' ' ' VAL . . . -129.03 -161.42 10.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -110.85 103.13 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 p -162.46 133.15 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.6 m -148.68 -101.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.51 144.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 m -141.38 151.46 43.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.7 81.11 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.74 -179.83 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.19 94.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.84 95.84 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.62 152.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 -66.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.95 147.4 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -118.12 136.18 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.27 70.43 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -154.59 -79.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.42 82.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.5 mtt 54.57 92.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.22 107.5 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.93 91.93 2.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.6 85.57 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.06 159.31 21.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.95 132.94 1.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.9 p90 173.83 130.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 p30 164.2 46.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -162.93 138.81 7.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.13 97.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -128.22 110.16 12.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 2.4 ptt-85 -138.66 172.37 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -131.66 109.65 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.09 135.72 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -140.02 40.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.0 t70 83.26 -50.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -137.32 67.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 t -139.46 71.1 38.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.63 4.32 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.29 102.77 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.88 178.77 48.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.85 128.83 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 29' ' ' ARG . 7.3 tp -109.1 141.68 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.45 -165.89 10.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.0 p -176.22 142.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.01 98.86 7.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.24 119.25 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.04 110.45 23.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.5 p -86.18 114.86 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -101.89 44.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 124.72 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -174.21 167.04 4.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.53 0.205 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 41.28 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -41.13 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -173.23 -66.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -178.02 148.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -147.57 161.56 40.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -172.44 -169.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.84 163.67 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 mt -82.74 137.68 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.739 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 99.5 m -112.85 90.9 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 66' ' ' THR . . . 82.12 -147.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.52 -115.0 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.58 42.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.02 160.58 29.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.19 171.44 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.8 154.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.4 mt 42.81 83.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -106.92 82.88 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.534 ' HB2' ' CD1' ' A' ' 76' ' ' TRP . 14.9 p30 -115.05 -50.4 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' OD1' ' A' ' 116' ' ' ASN . 9.2 p-90 -179.85 56.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.0 -179.73 5.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -162.69 74.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.6 pp -127.76 147.73 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -176.05 98.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 55.92 164.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 p -155.84 124.85 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -173.44 149.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.75 -172.26 15.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.89 55.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.99 133.04 11.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.557 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 46.7 p90 -178.35 -178.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.11 50.49 9.22 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 40.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 27.1 p90 -173.35 84.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.41 100.21 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.68 100.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 105' ' ' TYR . 9.2 p90 -93.97 157.29 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 145.1 153.02 5.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -173.49 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -131.82 147.39 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -161.83 136.74 7.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.92 -100.04 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -179.23 158.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -96.63 157.45 21.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.4 tp -158.24 119.88 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 166.83 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.1 158.02 25.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.591 ' OD1' ' CE3' ' A' ' 76' ' ' TRP . 1.4 t30 -84.0 141.68 40.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.25 34.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.0 ttt -107.56 -60.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.84 -69.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -158.46 76.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.2 p -166.56 128.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.76 100.89 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.32 178.48 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -157.22 123.15 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.54 110.93 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.4 t -129.06 173.11 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.051 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -110.46 108.61 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -103.21 91.5 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.402 ' CG ' ' HA ' ' A' ' 136' ' ' ASP . 3.4 tt0 -167.29 144.35 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 p -81.73 179.69 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.57 35.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.7 pt -115.68 39.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 132' ' ' ILE . 2.9 tpp180 36.0 50.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.5 t -147.59 -72.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 55.7 t -83.64 144.44 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.402 ' HA ' ' CG ' ' A' ' 129' ' ' GLN . 6.0 t0 -155.66 72.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.5 t -82.17 144.84 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -78.96 133.41 12.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 139' ' ' THR . 12.8 t -85.52 109.34 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -138.5 53.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.4 mm -74.41 139.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -179.56 102.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -129.73 156.73 21.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.57 110.95 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -108.88 146.44 16.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.94 -171.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.54 123.26 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.0 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.97 76.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -107.74 152.45 24.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -124.17 128.04 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -103.21 117.78 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.441 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.12 83.6 0.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.55 114.91 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.05 111.39 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.32 134.29 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -158.15 108.33 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -165.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -164.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -165.6 106.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? 67.77 -67.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -114.46 -109.15 2.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.32 71.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' LYS . 4.2 mpp? -111.54 62.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.409 ' N ' HD21 ' A' ' 19' ' ' ASN . 1.5 m-80 60.57 -86.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 77.8 -56.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 mmt 61.71 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . 165.1 -126.03 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.46 -141.42 4.77 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -152.46 122.29 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.24 104.81 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.414 ' N ' ' CB ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -169.84 134.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.98 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.97 154.01 27.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.53 146.78 52.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.66 109.89 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -104.81 175.51 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.82 164.57 31.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.4 17.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.04 30.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.05 84.21 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 62.66 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.69 111.53 5.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.72 167.75 46.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -173.82 46.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 tt -165.47 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.35 -146.52 11.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' N ' ' A' ' 26' ' ' LEU . 9.6 t -143.7 149.47 37.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.736 . . . . 0.0 110.055 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 27.6 p90 -177.41 82.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.483 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 1.5 t -179.4 48.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -165.32 79.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -99.32 155.23 17.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.99 106.09 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 129.44 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ARG . 16.3 p -72.03 61.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.472 0.177 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -73.09 147.44 44.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 166.27 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 3.7 t-20 68.6 158.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.01 98.29 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.483 ' CE2' ' HB ' ' A' ' 44' ' ' THR . 1.3 t80 -179.93 112.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.36 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 43' ' ' PHE . . . -148.99 61.76 0.43 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 43' ' ' PHE . 2.8 mp -91.25 122.52 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -167.91 134.18 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.94 -170.58 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.42 70.65 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 167.31 27.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.28 122.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -98.95 155.72 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.44 -165.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.3 mm -106.87 -74.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.63 57.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.32 -59.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.9 82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 -73.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 m 61.45 42.53 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -146.32 76.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.463 ' HB2' ' CD2' ' A' ' 113' ' ' LEU . 93.5 t80 -105.61 101.96 11.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.92 101.92 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.72 163.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.65 88.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.34 163.23 18.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.41 69.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.56 132.49 4.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.94 132.71 36.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.5 156.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 150.21 28.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -84.4 -151.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.336 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.8 p -69.85 97.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.27 116.55 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -141.87 141.83 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 107' ' ' PHE . . . -166.43 -109.93 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 106' ' ' GLY . 44.7 m-85 -153.1 161.93 41.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.448 ' HB2' ' CB ' ' A' ' 129' ' ' GLN . 21.9 p -128.68 139.16 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -124.82 131.96 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.55 -168.92 23.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -127.97 154.04 46.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.08 106.5 0.24 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 80' ' ' TYR . 1.0 OUTLIER -130.78 -165.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -137.33 149.4 47.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.41 89.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 166.29 80.02 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 88.36 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.8 mtt -143.27 -82.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -101.88 -87.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 120' ' ' ASN . 4.3 p30 -171.38 63.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.9 p -119.01 167.72 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.79 96.39 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 tp -93.74 86.01 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.61 -163.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -177.3 -171.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER -165.36 -174.65 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.425 ' N ' ' OG ' ' A' ' 126' ' ' SER . 1.4 t80 -172.22 48.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 1.5 tt0 -171.22 167.76 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 128' ' ' GLU . 4.0 mt-30 163.52 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 p -113.52 163.68 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.24 37.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -161.37 -148.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 3.3 ttt-85 -60.75 -58.12 9.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ASP . 57.8 p -41.26 -45.0 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 0.3 OUTLIER 37.63 33.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 134' ' ' SER . 2.1 t70 -170.5 62.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.67 97.77 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -105.59 122.7 7.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.2 m -137.52 71.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -173.92 169.66 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -168.86 -45.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -169.62 173.0 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.13 134.84 5.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 144' ' ' VAL . 4.7 p -132.32 113.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.55 3.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.84 112.11 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.747 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 167.35 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.14 74.51 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.1 m -98.72 134.79 41.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.0 t -107.51 102.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.8 p -135.01 114.95 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.67 -146.39 17.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.63 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -67.31 132.38 47.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.76 119.99 18.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -124.52 165.85 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -160.05 125.9 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.42 120.46 34.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.95 172.16 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.25 71.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.3 -43.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 71.56 56.03 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 0.749 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 tpp -160.45 68.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.59 135.77 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -132.63 86.08 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -102.24 133.81 46.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.34 121.0 2.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.43 -177.87 35.81 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 35.9 p90 -177.74 120.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 164.81 101.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -174.55 40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 83.02 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -150.03 69.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -80.65 159.07 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -112.98 84.68 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.08 95.9 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.51 -160.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -57.05 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -116.39 54.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.0 p -91.23 141.91 26.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -84.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.01 167.69 20.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.27 62.61 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 m -91.75 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.737 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.6 tt -80.28 135.62 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.97 42.21 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.64 116.83 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -168.72 104.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 m -108.49 157.36 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.18 94.6 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.04 160.12 43.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.94 153.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -69.86 -60.72 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 p 59.43 167.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 110.278 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.489 0.185 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -111.09 108.12 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 71.32 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -136.11 139.27 42.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -114.43 156.26 24.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 92.01 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -179.94 -163.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.85 165.79 38.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.1 tt -80.6 116.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 p -124.49 113.31 17.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.98 154.75 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.93 107.35 3.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.28 89.17 7.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.93 47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.83 144.83 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -111.23 -49.39 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' CG2' ' A' ' 73' ' ' ILE . 25.3 p30 -171.26 50.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -65.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -172.24 79.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 108.066 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.55 132.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.67 161.82 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.3 mt -101.72 115.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.08 107.82 18.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.57 80.47 0.31 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.3 m -86.23 117.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.56 122.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.38 152.64 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.4 t -111.55 113.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.85 140.21 11.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.74 96.34 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.92 71.44 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.32 64.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -168.7 177.3 5.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.7 p -179.87 137.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 177.62 -177.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -102.29 116.44 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.62 146.71 17.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.21 134.31 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -109.35 90.55 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.974 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -113.57 113.28 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -146.25 175.54 25.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.89 42.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.81 153.63 24.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -128.94 -178.02 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -168.05 120.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -108.28 -166.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -124.26 108.06 29.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 ptm -159.38 -43.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -103.81 -86.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -174.63 72.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 121' ' ' VAL . 8.1 p -146.28 100.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.557 ' HB3' ' CD1' ' A' ' 146' ' ' TYR . . . -111.67 173.93 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 pp -155.05 122.11 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.57 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.375 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 125' ' ' PHE . 3.2 p90 -169.44 135.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.1 m -113.03 131.98 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -121.18 120.12 34.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.9 176.11 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -165.23 169.3 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 t -80.96 137.71 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -150.03 20.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.435 HG12 ' N ' ' A' ' 133' ' ' ARG . 0.2 OUTLIER -132.93 -139.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 134' ' ' SER . 0.8 OUTLIER -41.28 -66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER 163.21 52.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.958 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.95 131.08 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.08 103.69 12.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.55 157.03 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.49 87.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 13.4 t -86.55 172.28 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -156.44 101.17 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 107.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.6 pt -109.33 167.62 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.74 99.79 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.61 121.18 6.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.94 150.46 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 70.82 161.74 4.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 21.6 p90 -176.33 55.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.16 131.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.8 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.88 114.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -123.95 142.6 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.09 121.63 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -152.89 113.47 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' N ' ' HA3' ' A' ' 143' ' ' GLY . . . 141.05 -170.67 24.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 126.91 -77.79 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.58 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . -113.77 150.21 33.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -152.48 121.91 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 63.8 174.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -170.37 46.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.1 131.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 136' ' ' ASP . 2.2 tt0 -49.27 117.87 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.63 89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.32 -44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm 55.7 84.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.74 128.27 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.76 -173.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.52 -49.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.79 -86.75 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.62 -163.49 27.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.44 116.76 27.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -109.56 167.26 10.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.64 88.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -55.25 122.24 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.76 109.4 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.1 128.22 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -113.4 127.51 56.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -144.16 153.89 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -134.63 176.11 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -45.75 61.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.07 -51.52 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.23 150.53 1.91 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.19 70.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.9 134.15 12.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 9.0 p -172.67 58.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.75 146.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.48 76.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m 178.12 71.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -155.53 109.81 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 63' ' ' TYR . 3.8 t -142.26 174.99 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -128.26 151.74 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 p -85.66 163.16 18.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -146.76 81.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.14 -160.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.02 -169.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.6 p90 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.46 -63.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.97 151.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.06 115.07 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER 173.22 76.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 84.6 m-85 -162.22 172.61 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.469 ' CD1' HG23 ' A' ' 44' ' ' THR . 10.8 t80 -172.97 -173.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.89 159.93 13.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.07 128.16 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.9 p -141.86 171.2 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . . . -172.77 153.16 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.57 133.55 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.9 145.12 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -168.13 175.73 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 62.2 132.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.55 143.33 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.0 -169.18 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -58.53 -54.34 48.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -167.24 56.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.86 149.93 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.43 145.95 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mm -131.61 115.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 80' ' ' TYR . 8.5 p90 -125.37 128.2 47.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -127.22 139.39 11.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -133.13 142.87 40.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 141.46 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.4 -158.61 8.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -142.87 104.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.2 153.32 52.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.81 -178.49 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA3' ' CE2' ' A' ' 90' ' ' PHE . . . -38.23 131.35 1.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -119.42 73.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE2' ' HA3' ' A' ' 88' ' ' GLY . 7.1 m-85 -91.52 165.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.5 m -54.71 137.92 43.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.47 166.47 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -173.45 162.71 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.04 -157.68 9.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.466 ' O ' ' CB ' ' A' ' 108' ' ' SER . 2.7 t80 -147.69 68.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 107' ' ' PHE . 0.4 OUTLIER 162.06 146.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER 179.69 46.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -157.12 118.42 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 127' ' ' TYR . . . 178.49 80.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -122.01 179.69 16.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.29 108.38 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -125.75 100.03 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -168.69 104.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 122' ' ' ALA . 2.2 p-10 -146.07 149.63 39.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.89 4.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.436 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -177.32 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -18.96 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -74.64 -18.86 60.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 p -161.61 118.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 116' ' ' ASN . . . -114.07 -169.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.63 106.26 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -56.22 136.53 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -164.17 54.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.7 m -108.76 114.5 28.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 111' ' ' ALA . 24.1 p90 -124.5 125.39 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 109' ' ' TYR . 3.1 pt-20 -80.71 161.02 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -109.86 127.04 54.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.5 p -131.61 128.03 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.71 36.01 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.2 tp -111.95 61.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 79.82 -53.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -43.92 -48.68 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.0 t 63.79 -79.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -94.59 95.73 8.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.7 p -82.05 142.32 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.71 72.56 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.2 t -101.61 64.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -80.12 106.71 12.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.52 125.35 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -96.24 116.4 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.4 ' HA3' ' N ' ' A' ' 7' ' ' GLY . . . -126.33 178.21 16.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.31 148.77 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -78.64 103.21 1.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.24 145.48 51.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -145.05 131.15 19.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -140.87 170.07 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 147' ' ' ARG . 67.4 p -121.5 176.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.0 t -111.22 70.64 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -121.47 154.05 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.85 58.1 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.33 151.39 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -144.16 141.14 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.45 156.27 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -100.24 99.86 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -71.17 94.85 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 p-10 -163.4 106.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' ASP . . . 169.97 -178.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 39.5 60.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.07 -26.24 10.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 77.78 26.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -155.05 89.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -155.99 124.83 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 102.53 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.5 ttt -136.47 110.88 8.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.48 136.8 14.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.0 138.24 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -152.62 113.7 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -115.73 147.65 40.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 94.16 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -41.55 109.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -112.28 85.02 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -105.75 144.73 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -126.28 133.33 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -98.02 114.96 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -121.6 -173.42 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.58 61.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.19 -51.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.68 117.87 66.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . 0.42 ' N ' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 61.08 5.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -171.51 -177.74 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.11 122.66 2.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -82.5 131.1 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.9 mm -119.68 100.29 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.63 -172.58 32.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 p -173.81 146.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -153.23 101.26 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 t -118.71 122.09 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -82.42 143.42 31.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.9 m -97.86 94.08 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -93.53 109.62 21.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' ARG . 2.2 tttt -138.67 161.79 36.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.8 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' LYS . 2.2 ttp85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.49 0.186 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.87 140.0 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -50.0 175.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 7.7 t-20 80.42 99.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.01 166.19 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.515 ' O ' ' CD1' ' A' ' 62' ' ' TYR . 48.4 p90 -80.03 129.22 34.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -171.73 40.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.24 142.99 16.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.8 mp -135.88 96.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 m -98.53 157.22 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.75 173.13 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.66 158.66 8.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.41 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -171.62 90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 12.7 p90 -164.51 113.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.83 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -164.21 78.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 43.32 56.85 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.59 -83.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.88 51.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.33 132.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.63 57.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.86 122.29 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -92.65 177.84 5.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.99 65.96 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -85.95 150.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.443 ' CG1' ' O ' ' A' ' 83' ' ' VAL . 8.6 p -102.58 105.51 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.96 123.76 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.1 t -124.14 82.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.48 131.84 10.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -146.86 100.77 3.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 0.74 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.38 131.49 10.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.73 168.25 17.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -91.87 143.52 26.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -136.52 89.63 2.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.26 149.73 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 105' ' ' TYR . 13.5 p90 -170.99 99.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.44 152.94 17.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.55 124.5 50.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.79 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.5 m -88.4 141.37 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -149.6 141.81 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -165.75 -175.32 36.13 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.63 113.23 20.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.7 93.99 1.78 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.57 99.37 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -113.14 144.66 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.88 177.29 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -82.24 139.98 45.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 141.56 26.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.9 ttt -71.85 -59.92 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.38 -56.49 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.97 83.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -176.82 119.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.63 137.26 36.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.87 85.71 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 141' ' ' ILE . 36.1 p30 -79.7 152.75 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -141.92 114.92 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.29 91.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -81.79 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.51 80.57 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -82.98 113.46 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 m -80.12 158.06 26.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.968 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -118.92 36.13 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 4.7 mm -80.07 77.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER 78.98 -58.38 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 135' ' ' VAL . 91.5 p -177.16 85.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.03 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.479 ' CB ' ' O ' ' A' ' 134' ' ' SER . 0.4 OUTLIER 83.91 -176.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.456 ' N ' ' CG1' ' A' ' 135' ' ' VAL . 19.5 t0 176.65 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -173.95 160.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.56 113.78 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 15.2 t -174.11 41.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.46 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.493 ' CD1' ' CG ' ' A' ' 124' ' ' ASP . 1.6 pp -110.06 154.96 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -172.89 139.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.81 169.6 42.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.49 168.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -127.07 117.97 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -169.66 102.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.432 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.38 153.7 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.533 0.206 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -89.37 106.18 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -140.92 155.68 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.435 ' O ' ' CG1' ' A' ' 5' ' ' VAL . 6.9 p -132.5 108.5 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.474 ' OG1' ' CD2' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -89.91 155.42 19.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' CG2' ' A' ' 141' ' ' ILE . . . -104.64 76.21 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.78 141.91 15.57 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 5.3 t80 -177.86 126.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 117.6 21.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -91.5 130.81 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -43.03 127.19 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 177.47 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.36 -178.3 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.03 59.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.55 67.59 1.89 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.78 44.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.9 mtm -74.52 -76.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 74.08 -65.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -179.77 126.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 ptm -171.57 126.35 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.84 141.09 6.75 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 9' ' ' TYR . . . -121.27 161.37 15.35 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -113.2 135.52 53.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -119.22 138.28 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -125.99 152.1 46.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -124.35 135.8 53.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -178.92 83.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.0 -155.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -105.69 109.95 22.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.67 141.53 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.31 -170.86 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -52.72 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -148.94 59.11 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -93.78 122.88 61.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.35 4.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.79 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.05 105.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.63 140.26 15.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.9 t -120.24 124.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mm -133.5 125.83 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.1 124.78 1.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.18 -173.89 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -106.16 111.09 23.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -129.53 107.16 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -132.87 164.12 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.4 m -111.68 127.22 55.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.01 88.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.53 157.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -162.08 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.524 0.202 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 177.78 -176.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 pttp 175.27 130.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 170.22 107.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -130.25 -149.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -170.76 -163.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -122.63 179.82 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.93 -89.11 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.446 ' O ' ' CG2' ' A' ' 65' ' ' ILE . 0.9 OUTLIER -168.55 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -87.94 106.8 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.91 -169.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.07 65.39 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.47 112.0 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.509 ' CD1' ' CE1' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -102.15 161.47 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 42.83 69.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 tt -74.62 72.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.6 -50.34 5.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 12.7 m-20 -118.73 -75.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.471 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 179.56 63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.025 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.41 -144.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.2 m 63.15 133.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.527 ' O ' ' CG2' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -168.82 91.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.509 ' CE1' ' CD1' ' A' ' 71' ' ' TYR . 9.1 p90 -129.33 129.24 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.07 108.31 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.03 135.72 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.56 94.16 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.73 120.88 2.24 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.82 115.02 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.802 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.71 161.22 24.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.31 118.98 29.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.99 115.39 4.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -179.63 109.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -168.43 -169.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.59 86.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.62 -47.06 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 2.8 p90 -139.81 127.12 21.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -129.96 123.92 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.9 120.52 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.5 p -81.22 114.27 19.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -112.3 118.61 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -156.69 119.06 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.98 153.49 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.47 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.5 95.89 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -177.16 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -159.23 169.14 24.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -134.78 65.96 67.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.25 3.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -175.07 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.43 -26.79 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.88 -43.23 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.5 81.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.17 78.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.474 ' CD2' ' OG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -168.55 -154.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -142.19 158.4 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 126' ' ' SER . 3.1 p90 -151.34 138.89 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER 159.36 -83.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.03 157.03 47.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -177.82 63.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -155.7 -167.61 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -92.52 170.68 9.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.82 70.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.14 66.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.6 56.75 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 -72.06 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.3 t -131.98 123.42 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -115.65 102.41 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 95.3 t -95.78 122.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.45 145.98 41.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 126' ' ' SER . 2.2 m -131.03 145.07 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.22 81.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.455 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 15.4 mm -151.11 -44.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.17 150.4 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 149.79 -18.92 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -112.32 154.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.52 -178.53 41.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.12 147.5 21.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 147.11 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 3' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 2' ' ' THR . 0.1 OUTLIER -83.88 57.74 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 p -62.8 165.24 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -145.77 81.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -135.75 149.7 49.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.38 135.64 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.56 -126.66 0.86 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -175.53 154.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.85 138.52 41.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -85.01 148.66 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.43 ' HB3' ' CA ' ' A' ' 21' ' ' MET . 4.3 t -123.6 90.61 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -136.31 151.97 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 176.45 119.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.42 -62.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.38 -63.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -168.46 91.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.76 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -51.06 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -177.88 -76.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.12 139.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.43 ' CA ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -66.05 145.43 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.01 58.19 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 130.39 3.75 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -124.68 157.7 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -94.04 129.66 40.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.35 111.57 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -67.86 118.27 10.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -178.11 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -177.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.81 83.38 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.43 94.07 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 170.83 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -47.82 72.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -47.13 -48.82 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -82.26 116.34 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.68 118.62 37.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.79 164.98 28.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.83 143.6 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 pp -106.96 140.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.15 179.66 18.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.2 p -176.43 87.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.77 61.09 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -112.46 167.57 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 44' ' ' THR . 44.0 p90 -110.56 136.93 48.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -99.06 165.89 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 2.9 pp20? -86.85 147.19 25.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 11.9 mttt 168.36 51.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.5 t -119.41 158.58 25.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 49' ' ' SER . 2.5 ttt85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.458 0.17 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -101.45 96.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 62' ' ' TYR . 1.4 ttpp 71.66 -60.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 70.55 -64.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -126.61 160.74 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -131.1 171.02 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.26 130.01 30.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.37 155.1 26.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.68 132.85 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.1 p -82.34 109.9 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.54 93.32 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.32 94.72 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.78 98.13 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 50.8 t80 -158.85 101.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' TYR . 0.1 OUTLIER 164.05 102.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 pt -154.32 114.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.58 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.76 -52.48 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -114.66 82.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.98 168.58 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.55 141.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 80' ' ' TYR . 31.9 mt -80.43 162.23 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 1.2 t80 -144.14 65.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.53 96.78 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.6 t -114.38 154.62 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 p -128.14 106.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.08 121.28 5.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.2 m -121.21 107.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.93 78.7 1.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.12 145.35 41.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.66 -149.22 5.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.14 129.38 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CE1' ' OG1' ' A' ' 102' ' ' THR . 1.2 p90 -112.02 157.3 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.594 ' OG1' ' CE1' ' A' ' 90' ' ' PHE . 3.8 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.1 p 53.01 74.13 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -133.01 176.76 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -169.1 137.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.32 175.25 45.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -135.12 118.72 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 m -141.51 128.84 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 109' ' ' TYR . 7.4 p90 -157.56 159.16 36.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -142.19 -124.77 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.58 113.55 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 113' ' ' LEU . . . 37.92 -139.18 0.57 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 165.79 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.72 159.41 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 116' ' ' ASN . 6.1 p90 -142.58 -154.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.533 ' O ' ' CE2' ' A' ' 115' ' ' PHE . 0.8 OUTLIER -88.74 118.03 68.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.9 40.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.4 ptt? 176.02 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -0.05 30.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 64.27 55.51 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.56 140.93 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.22 151.59 19.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.1 tt -147.46 78.97 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -44.35 114.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -97.04 84.52 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 80.9 p -104.88 158.34 16.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.96 143.96 49.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.12 121.3 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -148.6 112.06 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.1 p -103.65 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.93 71.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 132' ' ' ILE . 0.2 OUTLIER -138.36 48.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.63 31.48 16.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.43 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 2.4 m -149.6 -58.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 134' ' ' SER . 11.0 p 44.33 46.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.77 -32.53 11.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 13' ' ' ASP . 1.8 t -145.57 -173.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -169.75 -90.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 1.8 t -175.02 136.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.491 ' CE3' ' O ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -116.2 140.89 48.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.042 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.491 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 5.5 tt -108.33 167.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -149.23 148.73 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.21 155.91 26.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.7 63.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 127.21 156.99 9.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 13.5 p90 -175.57 45.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.51 132.72 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 55.9 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -133.65 112.69 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -120.88 106.24 11.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.09 115.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.8 p -121.14 125.65 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.63 109.45 0.67 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.16 -147.2 5.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -115.28 -167.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.49 110.67 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -152.15 163.15 39.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -116.18 142.24 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -143.08 112.65 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -178.03 -179.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 55.83 -87.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . 166.23 68.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 77.66 59.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.8 tpt -99.12 60.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 61.59 123.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.38 154.66 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -149.63 -64.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.97 -172.98 28.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.88 -161.85 33.12 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -120.26 161.76 20.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -133.21 130.27 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.5 161.63 21.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.19 147.27 27.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.4 138.75 54.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.34 155.54 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -178.7 47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -151.87 166.64 30.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.12 177.31 9.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.08 5.11 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -104.89 -12.27 16.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -158.63 98.01 1.73 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 79.74 2.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tp -161.06 86.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.86 166.75 14.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.85 122.88 53.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 pt -102.98 66.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 117.07 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.5 m -143.29 168.58 19.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 16.4 p90 -122.83 136.2 54.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.3 m -126.34 163.71 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 2.1 p90 -141.21 132.84 27.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.3 m -102.31 158.26 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.57 45.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -128.44 159.02 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t 76.99 -157.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.524 0.202 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 23.5 p-10 -175.4 108.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER 165.77 -75.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 79.05 -64.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -165.44 140.4 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -80.42 115.24 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.63 145.71 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.67 90.34 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . 0.431 ' CG1' HG13 ' A' ' 85' ' ' VAL . 1.1 pt -83.4 109.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.38 138.54 53.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.13 103.3 7.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.51 108.35 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -169.62 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.23 111.62 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.76 152.91 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.11 70.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -109.57 -44.74 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 175.11 68.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.09 -74.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.499 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -171.67 55.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' TRP . . . 83.51 -68.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.4 p -174.71 111.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.87 151.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -178.01 134.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.54 158.13 52.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -102.3 177.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.54 121.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 107' ' ' PHE . . . -148.65 -173.53 19.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.431 HG13 ' CG1' ' A' ' 65' ' ' ILE . 12.1 p -137.59 93.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -53.36 159.43 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.677 ' CE2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 t80 -158.06 72.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.88 39.69 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -135.31 121.03 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CE2' ' CE2' ' A' ' 87' ' ' TYR . 1.3 m-85 -157.43 175.97 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.4 m -114.58 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -178.42 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -157.48 170.81 21.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.28 118.71 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.44 ' CE2' ' HA3' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -167.35 -172.93 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.976 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' N ' ' A' ' 130' ' ' SER . 0.1 OUTLIER 175.5 -154.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.77 -167.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.64 -118.51 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.08 143.98 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.08 108.4 2.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.23 79.99 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -111.1 87.01 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -144.64 175.71 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -104.79 114.63 63.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -120.28 -37.61 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.81 -80.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.8 t30 177.84 76.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.44 146.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.91 171.47 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.73 123.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.82 127.39 33.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -86.78 48.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t 39.62 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -157.97 93.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 179.29 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 130' ' ' SER . 0.0 OUTLIER 168.47 151.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 129' ' ' GLN . 2.9 t 159.73 61.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -94.93 -70.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.488 ' O ' ' CG1' ' A' ' 132' ' ' ILE . 0.8 OUTLIER 179.29 38.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -42.04 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.1 m -133.26 8.39 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.6 t 77.45 -56.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -160.41 96.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 129' ' ' GLN . 8.7 p -117.2 176.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -179.56 -157.32 19.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.1 m -98.13 108.49 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.403 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -101.84 74.7 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.4 mm -141.89 166.92 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -114.65 83.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.36 138.2 21.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.48 103.39 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.11 118.12 4.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -154.82 117.47 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.73 155.7 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 3' ' ' SER . 4.5 m . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 2' ' ' THR . 39.6 t -159.22 98.24 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 146' ' ' TYR . 1.5 m 47.07 84.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.43 39.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.422 ' N ' ' HA3' ' A' ' 145' ' ' GLY . 2.2 p -138.85 161.96 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.04 126.3 2.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.42 -153.9 6.72 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.85 124.29 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.57 102.44 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.22 106.79 10.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.81 177.38 7.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 178.69 154.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.44 174.12 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -105.99 121.81 44.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.75 -40.66 2.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.76 -52.82 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 66.0 83.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -160.4 134.1 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 -59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -69.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.75 -149.26 18.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.61 -91.16 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -168.22 153.5 6.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -136.7 162.47 33.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.15 148.68 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 128.34 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 43.4 p90 -109.83 104.85 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 175.06 -166.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -179.09 161.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -171.96 111.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.07 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t70 174.4 -64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.01 84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.04 93.39 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.88 4.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tp -173.41 135.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.41 178.54 24.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.0 t -127.71 145.86 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.4 76.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.77 119.31 4.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.0 p -123.47 173.41 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -129.31 129.1 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -117.68 128.64 55.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.9 136.42 40.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 m -91.36 99.21 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -171.02 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 52.67 -170.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m 69.22 87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.527 0.204 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 119.8 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -103.77 77.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.62 99.07 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.09 114.72 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -163.11 -156.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -177.83 135.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.2 129.41 9.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -90.28 87.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 10.1 t -95.68 149.64 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 66' ' ' THR . . . 165.32 88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.71 162.56 15.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.96 36.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.7 86.23 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -177.41 165.72 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.91 -68.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . 3.0 tp -161.92 110.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.44 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t0 -113.89 -54.54 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -169.89 88.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.007 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 61.35 170.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.0 t -40.63 156.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.4 tt -115.78 159.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.44 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 7.6 p90 -83.57 167.87 16.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 156.25 69.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.5 t -81.11 134.14 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.9 t -126.17 92.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.88 -173.51 30.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.65 137.94 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.45 113.14 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -173.51 167.13 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 122.73 93.62 1.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.44 127.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 178.02 110.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 102' ' ' THR . 12.9 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 m -100.48 166.94 10.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -138.35 166.18 24.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.68 169.06 14.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.59 175.93 21.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.42 137.23 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 0.783 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -115.62 109.07 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -171.48 156.24 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.91 -119.05 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.19 140.32 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.31 138.31 9.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.86 86.02 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.57 92.63 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -136.51 174.72 10.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -103.74 111.15 65.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.39 -62.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.47 -73.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -165.38 82.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.69 136.72 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.01 146.2 27.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -158.96 155.84 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -133.34 130.38 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.91 83.38 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.16 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 127' ' ' TYR . 37.2 p90 -130.63 39.95 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -158.71 125.76 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -133.36 136.02 45.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.26 141.96 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.4 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 2.7 mtt180 49.27 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 5.6 mt -98.91 67.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.2 mtp180 78.54 -50.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -34.97 -50.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.4 ' HB ' ' CG ' ' A' ' 131' ' ' ARG . 40.9 t -123.58 92.83 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.52 116.72 26.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 55.2 t -145.39 78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.95 -138.47 7.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 5.4 t -175.87 156.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.368 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -168.94 136.53 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.9 OUTLIER -169.73 -169.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -112.24 82.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.53 148.82 44.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.4 p -173.98 121.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 6' ' ' THR . . . -107.21 -123.64 5.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 4' ' ' THR . 4.7 m-85 -133.69 164.22 27.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.492 ' O ' ' CG ' ' A' ' 147' ' ' ARG . 5.5 ptt-85 -121.78 117.04 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.58 49.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.63 135.42 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -117.54 133.59 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.7 t -87.21 93.37 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.3 66.95 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.96 156.08 26.78 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.91 -172.02 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.0 118.93 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.24 113.19 14.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -153.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.86 -154.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.93 39.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.38 18.17 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.18 44.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' MET . 1.0 OUTLIER -178.2 -56.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' MET . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 79.64 -52.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' MET . 1.9 p30 -92.36 -52.79 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.15 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -168.52 98.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.77 174.36 18.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.49 -139.44 10.87 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -100.43 159.47 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.7 49.01 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 3.4 mt -174.59 -164.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER 170.7 -87.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -177.61 144.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -149.07 -175.7 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 30' ' ' TYR . 8.5 p90 -104.21 128.83 51.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.58 142.8 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -154.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.03 -42.75 11.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -126.46 55.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 m -82.27 119.62 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -129.54 108.4 10.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.92 135.79 9.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.9 t -102.38 136.38 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 tp -125.13 129.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.04 85.81 1.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.45 104.29 13.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -160.12 166.81 29.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.3 p -123.68 147.58 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -85.84 159.63 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -81.93 80.23 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.1 170.14 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mmtp 64.23 -101.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.1 p 83.77 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.541 0.21 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -129.7 109.36 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 166.48 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -97.31 131.8 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -171.67 84.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -80.4 151.2 29.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -164.65 57.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.28 136.34 12.96 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.5 tp -123.93 152.52 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.79 141.58 23.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.63 98.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.49 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -73.72 -51.18 9.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.3 Cg_endo -74.99 147.02 33.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.25 165.26 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -178.63 172.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' ILE . 2.9 ttt180 68.13 144.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 1.0 OUTLIER 48.2 -175.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.4 t-20 77.58 151.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.13 -61.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -141.96 67.42 1.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 178.86 -173.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -128.42 128.01 43.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.6 mt -129.24 115.92 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -178.05 127.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.86 157.87 50.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.9 105.04 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 p -112.34 125.73 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.38 -162.5 11.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.17 96.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.51 135.2 28.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 3.3 t80 -91.79 148.58 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CE1' ' A' ' 87' ' ' TYR . . . -42.02 103.55 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 53.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -151.52 94.23 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 t -122.11 78.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.28 116.12 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -112.75 149.4 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -98.46 157.36 20.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -124.88 110.2 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -117.61 136.68 53.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -161.59 137.79 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -149.72 -121.43 1.08 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -168.56 179.4 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.87 127.44 5.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tp -143.62 82.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -86.19 130.15 34.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -92.89 155.4 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -120.15 82.33 29.96 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.61 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 7.5 ttt 69.51 40.77 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -75.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -177.38 45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.84 143.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.31 121.37 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.23 164.35 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -179.51 106.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -147.53 176.79 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 86.7 p -177.75 166.1 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -114.55 113.56 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -97.11 153.32 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -128.13 139.77 52.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.63 160.31 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.03 74.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 6.9 mm -104.64 71.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.93 57.76 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.61 74.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 88.3 t -140.57 137.56 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.09 148.52 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.5 68.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -69.96 85.4 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 98.0 m -93.07 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -163.58 96.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.2 tp -146.71 -179.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -145.4 122.32 11.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.57 166.18 12.54 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.37 121.47 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -104.16 54.1 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.15 111.14 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 131.21 43.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -134.63 83.09 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 t -101.08 149.28 24.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -145.74 146.19 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.9 p -150.24 168.29 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.77 129.85 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.12 134.63 12.17 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 9' ' ' TYR . 9.1 p90 -176.3 126.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.13 174.39 14.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.0 106.98 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.2 p -78.47 153.25 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -131.85 86.86 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.46 114.97 28.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 39.09 40.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -127.06 1.82 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -166.67 60.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.9 mtm 61.2 95.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -156.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -122.49 84.05 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.45 166.88 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -116.42 110.35 2.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.83 103.98 1.5 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.34 152.87 30.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -179.25 107.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.71 159.89 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -130.55 163.92 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -143.84 108.92 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 144.56 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 30' ' ' TYR . 18.6 p90 -129.82 77.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -124.19 144.63 49.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -170.36 46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -160.64 36.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 53.26 81.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p 173.2 93.8 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.18 2.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 101.41 3.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.14 -161.76 17.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -126.13 152.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 1.8 tt -94.33 92.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.91 57.53 0.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p -108.79 148.56 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -151.19 147.6 27.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 m -104.26 167.77 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 4.8 p90 -167.48 53.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.26 163.54 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.57 -165.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 174.61 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 t -133.63 135.01 43.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 15.8 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.541 0.21 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.5 m120 64.29 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.1 pttp 46.2 48.11 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -143.94 123.7 13.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 178.01 95.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -90.4 88.15 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 107.41 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.83 -174.04 24.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.59 146.03 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -119.54 161.13 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.8 113.73 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.03 82.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.123 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.64 14.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.28 146.83 29.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -130.03 177.94 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -74.1 -176.31 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -66.63 138.02 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.92 -50.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.0 -57.31 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.411 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER 177.54 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 76' ' ' TRP . . . 77.36 -64.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -70.33 132.12 45.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -109.28 116.36 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.08 157.38 18.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.56 47.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 10.0 p -88.18 79.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.93 76.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.11 114.0 3.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.2 t -101.97 89.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.8 155.21 25.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.404 ' CE1' ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -137.99 -158.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.13 -163.7 32.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -147.79 164.25 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 16.3 p90 -112.86 128.8 56.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.0 t -153.07 136.12 15.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -159.34 -60.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -167.03 150.43 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 87' ' ' TYR . . . -132.41 -128.48 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -167.19 117.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -170.28 151.92 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.62 105.92 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.137 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.24 -150.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.312 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 48.43 44.06 28.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 tp -151.72 112.81 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 0.797 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -126.63 139.41 53.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.13 144.55 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -168.33 136.83 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.432 ' HD2' ' CG1' ' A' ' 121' ' ' VAL . 18.4 Cg_endo -74.98 -71.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 174.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.01 -87.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -171.06 34.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.432 ' CG1' ' HD2' ' A' ' 117' ' ' PRO . 6.1 p -99.59 144.87 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -164.69 107.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 142' ' ' ALA . 1.0 OUTLIER -124.65 171.07 10.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.5 102.59 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.439 ' CD2' HG22 ' A' ' 141' ' ' ILE . 0.3 OUTLIER 173.41 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.46 -65.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -126.74 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.81 73.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.51 176.32 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.17 112.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -146.73 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.4 tt -91.6 46.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.97 25.7 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.06 -27.73 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 70.9 t -136.13 146.54 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.57 112.42 17.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.74 156.49 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -133.67 64.72 0.59 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.0 m -94.61 108.49 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -95.02 95.27 8.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.439 HG22 ' CD2' ' A' ' 125' ' ' PHE . 9.5 tp -90.77 150.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.409 ' CB ' HD12 ' A' ' 123' ' ' LEU . . . -160.66 118.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -90.16 102.16 2.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 73.4 t -92.73 123.58 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 168.17 -165.65 38.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -167.87 165.63 13.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.55 143.19 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' SER . 39.5 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER 159.94 44.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.2 t -165.47 39.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 26' ' ' LEU . 29.1 t -93.15 136.14 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -80.01 170.9 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.34 148.81 20.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.0 145.99 17.26 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 174.2 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.31 -173.89 4.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -126.04 143.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -115.88 154.66 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.61 136.69 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.91 143.63 42.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -62.39 112.12 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.29 76.25 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.34 -50.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.41 96.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -151.2 -170.02 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -115.15 169.46 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.32 159.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 45' ' ' TYR . . . -129.91 -150.92 7.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 45' ' ' TYR . . . -160.17 117.8 0.79 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -145.25 106.98 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -146.91 98.81 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.5 OUTLIER -176.94 166.97 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 12.3 tptt -167.08 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 123.43 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 125.35 35.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.91 96.91 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -155.38 101.72 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -172.8 73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 173.39 -73.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 173.35 80.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.98 115.89 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.19 5.98 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -120.16 111.6 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.1 -126.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.434 HG23 ' CA ' ' A' ' 68' ' ' GLY . 7.4 m -80.4 -152.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.522 ' O ' ' CG1' ' A' ' 40' ' ' ILE . 1.4 tt 177.36 39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 175.95 93.46 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -143.31 174.41 10.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -141.73 168.19 20.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -88.08 152.59 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.616 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.7 p90 -106.82 98.62 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -104.9 88.74 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 mm-40 -80.59 175.83 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 3.6 tmtt? 86.05 170.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.42 137.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.431 ' CG ' ' O ' ' A' ' 57' ' ' TYR . 26.7 p90 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -40.47 155.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 61' ' ' GLN . 1.9 tttt -70.8 67.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.96 -71.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 tt0 -165.01 -178.56 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.32 160.55 16.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.63 155.81 17.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 139.75 4.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.06 141.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.345 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -103.72 112.73 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.39 117.58 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -47.59 -48.25 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.2 Cg_endo -74.99 136.01 19.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 -168.59 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -170.02 175.22 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 51.23 79.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.2 tp -161.69 158.01 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.11 -46.87 79.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -118.76 -87.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -155.49 95.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' ' CG ' ' A' ' 114' ' ' GLN . . . -167.06 -161.64 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 79' ' ' ILE . 53.9 p 57.03 -164.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -168.4 40.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.08 121.82 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.53 51.65 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.34 138.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.24 72.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 104.72 1.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.5 p -168.9 112.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.91 -149.21 5.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -151.67 148.51 28.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 154.47 79.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -80.16 -171.37 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -109.38 57.83 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 p -165.84 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.24 89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -179.47 49.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.61 139.15 10.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -165.67 142.02 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.4 p -116.01 144.91 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -177.15 125.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -178.26 -150.9 8.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -132.97 146.31 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.475 ' HA3' ' CG1' ' A' ' 79' ' ' ILE . . . -131.41 -170.84 12.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 mp -145.16 178.87 7.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -154.79 120.08 5.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 114' ' ' GLN . 2.6 t80 162.13 133.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 122' ' ' ALA . 1.6 m-20 164.55 81.53 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 122.17 7.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -82.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 -36.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.34 -55.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 70.9 t -130.78 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 121' ' ' VAL . . . 161.23 86.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.478 ' CB ' ' N ' ' A' ' 115' ' ' PHE . 1.0 OUTLIER -156.9 84.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 1.7 m-20 -162.8 88.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -158.08 149.17 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.6 p -161.84 -165.27 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -141.65 115.85 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.53 170.85 13.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.8 163.79 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 131' ' ' ARG . 33.5 p -137.9 76.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 130' ' ' SER . 0.2 OUTLIER 161.76 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.4 pt -104.11 88.5 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 132' ' ' ILE . 5.6 mtm180 38.63 33.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.77 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 56.2 t -106.54 124.9 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -114.8 89.03 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 137' ' ' VAL . 2.9 m -89.64 109.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.27 102.66 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.8 t -118.17 165.85 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . 0.536 ' CG ' ' O ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -143.83 109.16 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 107.986 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 124' ' ' ASP . 0.1 OUTLIER -86.68 140.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -87.11 96.33 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 122' ' ' ALA . . . -49.1 138.63 15.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.1 p -178.49 84.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 121' ' ' VAL . . . -114.1 119.69 4.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -165.51 43.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 175.12 116.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 5' ' ' VAL . 44.3 p90 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -158.32 112.04 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.0 p -82.36 170.45 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -103.17 83.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -91.6 128.02 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.16 106.59 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.44 173.1 21.28 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.66 137.82 45.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.58 150.11 43.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -103.08 112.06 24.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -84.72 112.56 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.47 152.0 24.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.18 -176.3 4.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.55 -71.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.24 69.89 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.5 48.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.69 51.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 176.08 146.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.94 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 119.39 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.17 44.44 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -81.52 162.66 43.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 23' ' ' GLY . 69.0 m-85 -160.02 145.03 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -132.96 129.8 38.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -147.74 166.2 28.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER 34.29 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.551 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 76.5 t80 -133.2 39.68 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.448 ' CA ' HG23 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -176.77 98.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -154.26 120.31 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -171.58 166.79 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.53 -177.72 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -116.93 61.77 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 178.33 -54.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.96 118.75 64.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.15 32.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.36 152.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.82 110.36 2.0 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -149.8 77.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.448 HG23 ' CA ' ' A' ' 29' ' ' ARG . 4.3 tp -174.27 165.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 65.39 39.38 95.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.78 39.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 27' ' ' LYS . 29.9 m-85 -131.48 104.42 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 44' ' ' THR . 13.6 t -146.8 90.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -145.41 145.89 31.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.453 HG23 ' CB ' ' A' ' 61' ' ' GLN . 81.6 p -83.88 136.47 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 tm-20 -113.33 82.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 169.05 109.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 5.0 p 169.95 113.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.056 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 57' ' ' TYR . 35.8 ttt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.518 ' CZ ' ' HD2' ' A' ' 50' ' ' ARG . 4.8 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.537 0.208 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' SER . 55.7 m-20 -79.19 154.38 29.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.97 60.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -45.4 -62.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.453 ' CB ' HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -82.7 -170.69 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 179.73 -165.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 49.1 p90 -117.43 140.54 49.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.49 -118.92 1.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 tp -153.42 123.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -108.69 133.66 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.38 111.02 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.73 113.69 4.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 63.14 5.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.49 97.47 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -145.94 94.05 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.56 152.38 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -110.74 -62.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.7 -57.12 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.75 -56.97 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.15 69.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.97 71.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.8 p -76.66 90.98 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.1 pt -137.56 107.34 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 48.4 m-85 -163.62 174.25 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.32 177.26 0.79 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.9 147.73 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.1 p -133.56 144.65 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.42 123.06 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -109.05 98.05 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.14 164.81 54.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.52 167.25 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.07 71.7 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.73 79.15 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -105.14 178.62 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.7 -63.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 52.27 92.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.31 39.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.82 79.24 0.89 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -79.97 137.33 36.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 107.45 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.055 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.55 115.81 20.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -141.96 -150.77 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.84 133.11 19.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.28 151.28 28.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 115' ' ' PHE . 3.5 tt -147.48 101.93 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.12 123.37 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.405 ' CE1' HD22 ' A' ' 113' ' ' LEU . 46.2 m-85 -86.38 167.59 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.2 122.49 69.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.75 38.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.2 ttt -151.53 -65.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -109.73 -45.42 3.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 179.3 71.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.27 108.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.73 70.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 128.83 42.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . 0.477 ' O ' ' CD2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -138.28 76.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' HB ' ' A' ' 141' ' ' ILE . 1.2 m-85 -164.27 174.3 11.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t 179.52 -81.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.15 169.63 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.0 120.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -87.14 139.12 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.96 105.74 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.956 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.28 89.97 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 30.3 mm -79.92 86.5 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.98 54.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.61 78.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.2 p -156.12 140.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 101.55 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 96.1 t -121.98 115.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -91.13 145.32 17.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 17.5 m -134.22 120.79 20.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -155.09 112.07 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.522 ' HB ' ' CE1' ' A' ' 125' ' ' PHE . 2.7 mp -129.08 150.07 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.6 95.89 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.44 146.3 18.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.4 p -171.38 155.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.82 -161.41 29.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 165.25 17.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -90.41 148.0 23.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 84.2 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.9 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.63 74.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -97.48 130.47 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.0 t -106.23 103.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -112.63 114.01 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.9 132.34 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.89 150.49 21.41 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -91.53 136.91 32.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.71 117.29 33.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -171.16 125.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -168.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 152.69 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB2' ' CG1' ' A' ' 137' ' ' VAL . . . -172.74 146.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.7 102.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.0 -33.89 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.76 74.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.9 mtt 71.11 97.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -149.89 135.11 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.05 98.62 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 92.24 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.19 108.84 3.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.88 168.78 23.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -130.31 135.04 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.71 134.97 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.21 56.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -66.42 138.94 57.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.62 118.49 30.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -85.92 161.64 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -108.24 140.23 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -80.44 154.69 27.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 136.54 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.27 -38.74 91.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 176.46 39.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.66 127.64 16.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.62 71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.79 117.44 3.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -138.12 153.77 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -177.57 179.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.71 -134.98 6.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.16 141.43 15.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.37 114.89 29.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -120.31 -179.94 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.84 97.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -82.5 148.42 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.36 -179.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.9 112.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.422 ' C ' ' CG ' ' A' ' 50' ' ' ARG . 4.6 t -176.45 -62.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' CG ' ' C ' ' A' ' 49' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.514 0.197 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -118.53 130.4 55.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -105.55 118.52 36.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -177.83 95.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -143.0 121.34 12.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 87' ' ' TYR . 10.6 m-85 -165.48 165.03 19.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -146.75 156.15 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.71 107.39 2.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.5 pt -151.68 41.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -158.98 151.34 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -178.27 86.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.5 126.48 0.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 132.92 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.91 166.89 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -57.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.4 mt 67.5 56.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -74.05 -156.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 76' ' ' TRP . 0.3 OUTLIER -90.96 -33.22 15.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -152.85 47.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 108.004 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.98 122.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.23 -62.84 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 tt -95.34 41.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 8.8 p90 -80.48 149.44 30.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 42.13 83.18 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.566 HG22 ' CD2' ' A' ' 109' ' ' TYR . 4.4 m -105.82 168.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.426 HG23 ' CE1' ' A' ' 107' ' ' PHE . 88.8 t -110.36 123.38 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.48 173.7 30.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 56.0 t -137.96 64.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 161.22 17.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 62' ' ' TYR . 7.9 m-85 -113.95 132.87 55.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.76 136.61 13.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.95 156.04 33.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 134.09 35.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -151.05 121.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.966 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.26 -66.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 16.6 p90 -175.33 134.07 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.9 157.6 20.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 83' ' ' VAL . 1.6 t80 -179.06 120.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.39 150.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CD2' HG22 ' A' ' 82' ' ' VAL . 1.5 t80 -170.5 -147.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -140.85 -94.24 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.092 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 177.61 162.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -119.91 125.15 6.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 124.0 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -86.64 114.13 23.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 122' ' ' ALA . 43.8 p90 -100.57 -172.69 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -132.48 106.45 13.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.72 32.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.1 ttt -106.57 -50.29 3.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.94 -47.51 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 169.74 83.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.3 m -145.13 166.55 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . . . -140.13 131.06 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 23.6 mt -133.06 88.66 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -142.96 104.97 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' A' ' 141' ' ' ILE . 35.7 p90 -171.7 147.69 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 59.3 p -173.05 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.439 ' N ' ' OG ' ' A' ' 126' ' ' SER . 38.1 p90 -176.26 158.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -138.36 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.464 ' HB3' ' CG1' ' A' ' 135' ' ' VAL . 15.8 mm-40 -129.74 149.61 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 94.5 p -171.84 96.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -177.86 -155.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.8 tt -148.65 93.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 81.99 -44.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' ASP . 14.8 m -82.46 8.46 11.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 129' ' ' GLN . 21.6 t -38.72 98.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' SER . 14.0 t70 -150.67 52.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . 0.405 ' CG1' ' HB2' ' A' ' 14' ' ' ALA . 15.1 m -115.31 137.05 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -124.02 177.5 16.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 5.0 t -172.73 163.5 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 0.736 . . . . 0.0 110.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -147.06 72.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 125' ' ' PHE . 14.4 tt -85.2 155.76 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.01 73.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -43.53 115.77 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.06 110.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -179.81 -132.88 1.88 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -177.72 167.36 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 147.74 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.8 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.6 101.47 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -116.12 110.48 18.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.8 t -93.71 72.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.9 p -97.3 67.87 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.51 165.01 23.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.36 -95.42 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.78 126.49 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.91 141.67 35.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.4 157.71 16.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -118.51 114.38 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.22 111.41 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.61 -165.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -117.71 -58.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.87 15.41 5.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -90.0 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 63.06 70.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -140.08 121.2 14.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -50.8 135.5 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 ttp -150.16 152.03 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.28 148.95 6.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.94 -91.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -159.3 114.85 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -103.55 103.49 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 pp -117.3 114.54 23.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -65.66 143.18 57.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.408 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 11.2 t80 -97.94 116.31 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 1.0 OUTLIER -98.48 127.87 44.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -135.72 93.76 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.74 146.76 27.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -168.9 59.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.56 84.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -176.46 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.63 123.36 7.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.43 4.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.35 -177.17 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . -163.37 37.21 0.32 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.8 p 177.53 135.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.469 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -175.31 42.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.03 140.64 3.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.41 141.72 37.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.03 136.22 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 t -166.69 136.98 3.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -154.49 158.23 39.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 p -85.73 172.3 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -151.7 177.39 10.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.1 OUTLIER 65.1 -91.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER 81.42 160.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.504 0.193 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -92.87 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.07 57.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.8 109.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -150.15 98.54 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -98.31 150.9 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -139.7 71.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.72 86.54 0.82 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.0 70.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -161.58 40.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.48 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.88 -175.39 15.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.96 41.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.75 -174.9 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.54 117.55 29.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.32 151.7 27.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.3 pp -46.61 123.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.73 -44.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.55 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 30.5 m-20 -87.29 -67.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -170.73 69.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.22 171.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.23 115.91 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.32 57.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 80' ' ' TYR . 79.6 t80 -173.7 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.21 36.4 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.2 117.54 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.77 150.02 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.79 129.69 1.98 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 m -95.43 103.64 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.77 166.56 12.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.44 97.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.53 -162.76 13.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -178.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.14 95.32 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.3 p -177.22 74.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.73 140.97 16.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -120.46 171.8 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.76 149.86 21.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -119.8 138.43 53.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.23 163.32 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -162.34 117.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.17 -149.13 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -164.4 175.38 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.14 69.23 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.38 120.41 25.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.47 112.29 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -168.17 120.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 172.31 136.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.66 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.9 mtt -128.1 160.98 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.3 pt-20 -44.27 -42.17 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 6.4 m-20 167.22 42.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.96 155.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.18 171.0 14.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 pp -123.41 149.36 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.96 114.76 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.47 131.63 34.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 90.3 p -119.08 92.14 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -104.73 86.78 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -81.19 157.04 25.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -158.96 74.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -82.06 -171.7 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.25 48.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.51 92.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.23 41.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.05 75.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.62 175.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -116.31 102.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.84 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.36 155.28 16.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.4 t -169.25 139.59 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.4 120.72 21.3 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.19 132.58 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -115.47 87.99 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.79 138.84 22.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.8 t -147.47 121.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -166.02 -162.16 16.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.05 136.66 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.06 141.58 34.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.432 -0.211 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.42 69.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -143.06 -169.71 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 m -94.97 140.49 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.411 ' O ' ' CG2' ' A' ' 6' ' ' THR . 13.4 t -151.56 111.38 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.16 -163.41 34.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.6 -160.83 9.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . 0.451 ' CB ' HD11 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -101.13 -161.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' MET . . . -125.51 87.54 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -118.42 122.17 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -179.43 168.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.42 116.56 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.01 118.36 36.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 137.61 48.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.17 56.47 12.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.08 -54.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.5 ttm 59.11 68.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -110.58 106.67 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -71.05 73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 29.56 76.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.42 33.53 6.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.65 157.39 22.56 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' C ' ' CD1' ' A' ' 24' ' ' PHE . 4.2 p90 -159.35 144.96 16.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.31 124.99 50.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -137.27 76.55 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -133.4 -168.23 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -137.41 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -135.18 -166.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.36 115.61 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -162.47 58.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 168.61 51.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -178.55 51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 43.14 76.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.97 167.18 13.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -127.4 177.94 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.04 33.42 69.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -114.08 113.03 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 tt -171.41 144.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.66 65.82 0.47 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 151.55 21.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.89 132.36 53.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' TYR . 1.9 m -118.46 74.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -82.82 150.2 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' GLN . 87.7 m -110.05 167.55 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -177.88 119.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 156.38 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -98.08 153.14 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 18.4 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.531 0.205 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.37 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -163.72 -178.46 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.31 91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -161.84 108.78 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -179.36 39.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CG ' ' HB2' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -125.06 158.23 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.38 85.71 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.53 138.14 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -156.2 129.59 8.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.68 142.55 28.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.99 125.8 3.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.46 4.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -141.61 115.48 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.85 126.96 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 65.41 167.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -157.54 100.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.54 -59.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.1 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.447 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -150.81 62.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 76' ' ' TRP . . . 80.06 -68.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.76 170.83 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -132.4 164.1 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -81.52 144.37 31.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.23 80.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.1 m -108.3 162.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.78 101.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 89.25 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.4 m -95.62 79.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.63 148.9 35.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 2.1 m-30 -116.65 105.62 12.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.67 67.84 0.28 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -88.06 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 7.8 p90 -94.88 133.01 39.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' THR . . . . . 0.491 ' CG2' ' O ' ' A' ' 102' ' ' THR . 1.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.36 144.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.22 173.79 10.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.13 -169.26 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.22 116.06 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.84 97.49 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.14 126.93 55.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.78 91.65 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -106.15 -142.8 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -134.61 157.82 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.75 131.9 10.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.01 120.96 10.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.64 118.37 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -176.21 98.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 177.38 75.29 0.11 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.18 -62.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -67.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.6 p30 177.37 53.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -139.99 173.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.6 145.25 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -132.71 133.64 43.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.26 156.17 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.91 94.34 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.5 p -49.74 117.06 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.51 103.66 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -132.15 -175.64 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.27 130.34 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.6 p -85.12 -170.46 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -179.29 49.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 12.8 mm -120.77 82.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.403 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 77.68 39.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.51 97.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 30.3 t 68.08 166.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -170.91 -48.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.7 p -176.54 137.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -103.28 -157.85 25.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 2.3 p -155.32 112.43 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 110.366 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.37 103.33 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.451 HD11 ' CB ' ' A' ' 9' ' ' TYR . 8.4 tp -153.7 159.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -109.71 115.43 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -98.94 120.76 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.02 127.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -113.24 169.63 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -175.74 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.14 150.69 24.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.01 83.4 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -116.51 142.65 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p -145.97 128.6 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -146.18 126.55 14.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.78 88.46 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.88 -160.53 11.01 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -145.5 135.97 24.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.11 170.5 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -162.64 98.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.6 152.52 35.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.04 179.82 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.14 83.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 69.01 -72.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.18 79.43 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -145.64 -51.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ttt 59.18 88.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 177.33 95.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.8 -161.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.23 -56.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 -123.63 7.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 24' ' ' PHE . . . -176.85 -105.06 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 93.8 m-85 -161.97 127.5 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.85 83.42 2.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -92.18 92.88 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 142.1 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -152.3 108.9 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB2' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -135.38 -157.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -126.81 153.38 45.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.5 116.73 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 5.5 tt0 -140.08 53.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 m-20 170.16 41.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 11.7 m-20 82.04 -50.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 160.61 96.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -64.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pp -177.61 91.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA3' ' CG ' ' A' ' 69' ' ' PRO . . . -63.68 118.66 13.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.8 t -99.03 59.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 29' ' ' ARG . 7.7 pt -80.07 157.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.32 67.62 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 p -89.09 176.23 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 11.9 m-85 -125.05 107.96 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 p -85.32 103.44 14.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -82.77 131.85 35.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.5 p -123.52 111.34 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -112.26 139.58 47.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ARG . 28.8 tttt -118.52 111.2 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m 68.79 -65.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.533 0.206 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -102.66 129.38 49.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -137.96 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -56.35 162.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.52 145.77 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.23 137.24 38.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 16.6 t80 -162.15 160.49 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.424 ' O ' ' CE1' ' A' ' 63' ' ' TYR . . . -162.04 -143.65 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 tp -120.37 131.91 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 0.73 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' THR . . . . . 0.469 ' CB ' HG21 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -123.78 141.45 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.03 138.43 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.59 80.92 1.45 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . 0.463 ' CG ' ' HA3' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -75.04 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.0 139.41 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -95.89 175.16 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 130.1 8.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.68 142.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 171.69 -55.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.08 -47.34 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -136.21 87.93 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 107.993 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' TRP . . . -39.94 -66.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p 60.74 57.33 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 113' ' ' LEU . 35.2 mt -79.87 158.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.435 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 18.4 m-85 -130.34 112.03 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . 0.406 ' N ' HD22 ' A' ' 113' ' ' LEU . . . -37.38 -87.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 66' ' ' THR . 6.2 p -173.48 171.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.46 104.24 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.52 -164.01 12.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 p -146.33 135.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.71 153.49 47.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -105.93 137.54 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.6 84.61 1.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.5 61.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.16 150.35 26.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 99.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.1 110.12 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -111.91 90.22 3.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.84 79.75 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.75 125.93 25.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.0 p -106.08 127.89 53.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 109' ' ' TYR . 3.7 p90 -140.28 143.79 36.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -179.09 119.96 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HB1' ' CD2' ' A' ' 80' ' ' TYR . . . -116.12 148.83 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 111.01 131.9 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 79' ' ' ILE . 0.4 OUTLIER 177.78 40.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.08 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 115' ' ' PHE . 52.6 p90 -85.32 109.12 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 115' ' ' PHE . 3.4 m-20 174.08 65.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -51.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 178.2 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.99 -85.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 42.7 t30 178.01 57.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.8 p -131.34 153.69 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.06 156.46 17.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 pp -175.78 141.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -88.75 137.89 31.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.74 90.78 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.1 p -159.44 155.2 26.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.39 128.41 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -107.76 85.63 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -105.14 125.6 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -87.29 177.17 7.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . 0.403 ' CD ' ' HB ' ' A' ' 135' ' ' VAL . 4.1 mtp180 51.69 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 6.4 tt -91.33 43.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 75.34 5.76 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.6 t -84.24 -41.05 17.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 136' ' ' ASP . 84.0 t -133.2 157.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 135' ' ' VAL . 2.3 t70 76.02 166.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 t -137.72 -175.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -98.63 154.01 19.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.4 t -103.48 142.06 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.96 96.18 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 4.6 tp -91.29 137.56 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -168.48 122.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -149.51 -164.29 11.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.054 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.0 p -101.55 153.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -133.18 106.08 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 123.65 50.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 136.01 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' THR . . . . . 0.446 ' HB ' ' CB ' ' A' ' 148' ' ' PHE . 22.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.77 55.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -131.74 159.69 37.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.53 141.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -117.28 100.12 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.429 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.79 133.54 10.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.19 171.55 31.49 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -129.51 127.13 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.81 132.95 55.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 12' ' ' SER . 15.6 pt20 -171.06 -166.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 11' ' ' GLN . 1.0 OUTLIER 85.62 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.8 114.17 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.11 78.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HG3' ' CG2' ' A' ' 135' ' ' VAL . 44.4 tt0 74.75 -60.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.04 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 176.04 50.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.262 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.03 73.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASN . . . . . 0.438 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . 29.5 t-20 -172.61 97.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -108.51 54.84 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 178.53 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.22 -72.53 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.47 -170.45 43.51 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -143.94 132.74 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.93 127.26 55.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -151.58 102.57 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.47 -167.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -126.59 175.56 7.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 126.18 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -99.04 61.72 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.28 61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -173.32 56.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t0 176.23 54.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.58 89.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.0 p 179.98 105.99 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -84.15 153.2 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.81 163.33 14.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.02 64.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.36 -174.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.66 -98.37 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.1 p 175.7 -179.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 5.6 p90 -130.64 39.92 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 177.75 146.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 64.4 t80 -178.29 42.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.98 161.06 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -79.32 -155.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -77.14 -64.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.39 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.497 0.189 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 2.8 t30 81.75 -66.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 40.31 80.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -56.7 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 175.53 141.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.44 129.13 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -102.42 85.44 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.86 119.81 5.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.19 89.14 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.6 m -95.47 75.36 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.94 -70.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.03 -160.15 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.77 146.52 27.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 40.2 t80 -176.68 138.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.71 86.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 78.2 mt 46.7 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -58.94 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -119.58 -56.54 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 76' ' ' TRP . 10.9 t90 176.72 53.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.78 -172.5 2.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -170.56 91.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -125.31 128.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 71' ' ' TYR . 1.3 t80 -177.25 166.79 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.58 163.18 54.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.09 147.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.94 135.46 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.85 143.05 13.63 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.17 121.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.41 151.62 26.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -108.59 134.98 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.31 121.65 12.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 177.33 84.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' GLN . 2.5 p90 -164.69 -169.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.9 pt20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.4 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -136.64 69.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.97 99.17 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.28 123.84 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.51 132.63 3.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.18 104.07 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.6 p -84.83 170.58 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.68 119.94 7.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -130.34 155.17 20.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.18 119.43 12.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CD2' ' A' ' 123' ' ' LEU . . . -105.78 94.94 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.1 tp -102.26 142.27 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -92.26 68.81 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.2 96.06 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -140.05 147.23 49.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 118' ' ' MET . 18.4 Cg_endo -74.93 1.42 7.72 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' MET . . . . . 0.512 ' CB ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 82.53 49.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -115.99 -64.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -179.65 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.53 151.74 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.57 44.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' LEU . . . . . 0.452 ' CD2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -179.41 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.1 -37.36 81.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.13 93.85 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 134.99 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.91 162.64 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -94.03 128.08 40.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' GLN . . . . . 0.447 ' NE2' ' HH ' ' A' ' 45' ' ' TYR . 5.3 mp0 -79.09 -164.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.15 -162.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 177.3 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.9 mt -137.79 154.05 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 132' ' ' ILE . 0.6 OUTLIER -35.83 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.45 55.76 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' VAL . . . . . 0.41 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 13.9 t -152.72 126.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.54 130.34 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.3 109.46 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -74.78 119.68 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.2 m -110.25 81.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.383 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.41 90.7 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.5 OUTLIER -160.76 -167.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ALA . . . . . 0.439 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -136.32 167.57 21.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.65 -163.53 36.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.3 p -169.67 78.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -118.55 141.58 16.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 31.2 p90 -117.18 72.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.78 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 146' ' ' TYR . 0.0 OUTLIER 164.31 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' PHE . . . . . 0.446 ' CB ' ' HB ' ' A' ' 2' ' ' THR . 11.9 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 p -126.79 174.65 8.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t 177.61 71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.2 t -163.24 161.93 25.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.4 p -101.0 114.09 39.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -115.54 158.06 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.94 166.47 34.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.42 -132.5 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.62 151.83 47.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.56 107.9 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -84.15 146.77 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.45 132.65 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -143.67 88.65 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -121.4 160.51 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 78.17 17.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 72.6 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 43.95 72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.05 46.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.59 148.95 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.16 172.34 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.12 -175.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.21 -63.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.62 -179.11 29.37 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -116.65 134.68 54.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.5 112.14 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.34 124.58 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 128.93 49.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 3.9 p90 -155.03 121.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.34 -176.22 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -167.3 91.65 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -153.75 112.28 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.06 120.57 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 52.83 81.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 176.52 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -170.59 129.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 110.05 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.87 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -174.6 127.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.03 -166.79 11.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -125.98 99.86 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.754 . . . . 0.0 109.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.432 ' CD1' ' O ' ' A' ' 68' ' ' GLY . 40.5 mt -87.22 109.42 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.33 130.63 9.97 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.11 105.97 5.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -112.0 105.45 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -136.3 159.01 43.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.442 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -111.96 160.98 16.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -115.62 111.71 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -81.57 80.45 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.45 145.3 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 58' ' ' ASN . 70.3 m 61.3 -178.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 169.52 151.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.78 98.66 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.59 46.2 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.2 t -164.5 -65.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.041 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 p -170.11 34.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.1 78.87 0.1 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.13 65.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -179.91 -63.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 16.5 t-20 -174.78 159.73 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -133.51 172.54 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.43 157.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -101.83 176.25 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -94.14 143.51 26.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -131.99 126.88 35.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.3 137.1 9.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.12 105.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 16.2 m -95.9 151.3 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.54 155.78 32.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.432 ' O ' ' CD1' ' A' ' 40' ' ' ILE . . . 173.92 151.57 8.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.84 6.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.0 112.08 20.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.93 109.17 7.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 22.6 ttp180 -80.35 -62.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.406 HG22 ' N ' ' A' ' 74' ' ' ASN . 0.2 OUTLIER 46.34 -171.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.406 ' N ' HG22 ' A' ' 73' ' ' ILE . 1.4 t30 57.98 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.48 ' OD2' ' CD1' ' A' ' 76' ' ' TRP . 24.0 p-10 -46.98 -49.5 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.498 ' CE3' ' O ' ' A' ' 76' ' ' TRP . 55.6 p-90 -175.22 55.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.44 108.06 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 m -63.42 161.35 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -118.1 150.34 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -82.8 153.97 24.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.64 50.5 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.442 ' CG2' ' O ' ' A' ' 82' ' ' VAL . 18.0 m -114.94 92.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.3 m -97.77 150.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.6 149.92 21.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.8 p -135.31 139.59 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.93 151.41 17.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -176.66 156.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.69 179.65 30.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -103.51 77.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 37.1 p90 -155.17 129.23 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.33 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 m -133.88 119.01 18.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 5.9 t -142.47 89.75 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -171.27 33.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.533 ' HB3' ' CD1' ' A' ' 98' ' ' TYR . 1.9 m-85 -159.25 169.52 10.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 71.09 5.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.9 m 74.74 82.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -119.25 -55.5 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER 47.91 -173.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -116.43 -49.75 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 63.59 63.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.3 p -124.8 61.95 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.0 m -45.02 111.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.97 162.33 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -108.02 118.47 36.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.79 152.39 30.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.46 94.16 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.1 t -113.99 115.56 27.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.53 153.48 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -119.39 179.7 16.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -113.82 161.94 16.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.78 120.37 6.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.72 71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -104.76 136.63 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.82 173.28 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.17 146.28 58.15 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.21 33.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -58.01 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.43 -58.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -171.33 74.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -170.9 141.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.47 100.84 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -117.3 144.74 44.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -117.04 101.67 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -129.7 124.95 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.58 125.51 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.89 133.52 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.55 156.47 47.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.4 169.38 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -154.8 48.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 134' ' ' SER . 5.4 mt -86.26 84.91 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.97 -66.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -166.16 74.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 75.3 t -128.67 134.34 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.83 120.32 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.5 136.12 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -127.64 92.46 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 10.2 t -94.8 158.36 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -137.3 95.31 3.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 108.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 8.4 tt -56.79 138.01 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -132.6 53.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -53.98 144.49 27.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 26.9 m -147.18 65.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.08 -168.15 12.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -88.06 177.48 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 111.009 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.67 138.34 44.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 t -169.55 136.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -178.2 153.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 4' ' ' THR . 1.8 m -165.65 56.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.426 ' HA ' ' CA ' ' A' ' 145' ' ' GLY . 28.2 t -80.06 145.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.8 t -178.57 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.29 127.95 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.92 98.69 0.13 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.1 162.43 13.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.95 149.3 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.11 82.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.59 -179.88 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -117.75 173.84 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -141.81 143.99 33.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.7 -65.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.65 -64.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.93 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 tpt -120.38 -43.24 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -167.35 146.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.03 133.35 37.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.6 ptm -90.03 162.21 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.2 124.38 3.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.33 148.74 17.75 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.45 ' CD2' HD11 ' A' ' 26' ' ' LEU . 4.5 t80 -140.6 121.49 14.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.499 ' HB2' ' CE2' ' A' ' 43' ' ' PHE . 28.3 t-20 -81.81 134.01 35.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.45 HD11 ' CD2' ' A' ' 24' ' ' PHE . 0.1 OUTLIER -163.92 62.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -139.49 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.3 p90 -154.42 175.22 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -135.07 128.88 33.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 124.61 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -122.96 87.99 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -177.61 100.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 178.39 -65.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 179.19 38.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -136.71 141.51 35.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.15 10.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -130.08 178.78 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.62 172.65 28.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.96 44.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -176.9 148.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.78 55.34 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -157.81 94.27 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.499 ' CE2' ' HB2' ' A' ' 25' ' ' ASN . 3.4 p90 -85.91 138.72 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -147.86 73.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -122.86 78.76 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.4 t -153.04 160.31 42.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' THR . 2.1 mm-40 165.32 149.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -49.65 139.34 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER 62.9 -175.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' THR . 25.3 ttm180 176.8 -77.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.461 ' CB ' ' O ' ' A' ' 50' ' ' ARG . 0.9 OUTLIER 168.99 148.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.441 ' CB ' ' O ' ' A' ' 51' ' ' THR . . . 80.16 30.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.56 -47.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 t -113.98 -36.62 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.35 45.65 84.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER 174.49 -170.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.34 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER 68.13 -64.84 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' OG ' ' A' ' 49' ' ' SER . 21.5 t30 -135.12 161.28 35.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -79.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.45 175.79 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -85.32 -179.01 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -110.92 121.44 45.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.01 94.25 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pt -112.57 136.89 47.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 67' ' ' ALA . 2.6 t -88.08 -161.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.407 ' N ' ' CG2' ' A' ' 66' ' ' THR . . . -171.83 82.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.47 82.24 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.61 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.3 135.84 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -81.39 -171.7 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -113.88 23.71 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.59 81.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -152.5 127.52 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -51.18 56.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -174.8 57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -162.8 148.88 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -83.24 168.75 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 tp -143.87 149.34 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -94.22 150.36 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 164.92 55.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.23 121.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.47 105.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.87 146.22 16.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.9 t -132.53 84.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.234 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.84 119.64 6.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 t80 170.98 134.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.56 -161.31 31.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -90.92 110.54 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 14.0 m-85 -164.25 -171.77 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.7 OUTLIER 74.46 -63.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' THR . 0.9 OUTLIER 66.54 -69.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 92' ' ' THR . 2.0 m 82.79 -49.61 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.562 ' O ' ' CG ' ' A' ' 95' ' ' TYR . 3.0 mt-10 164.31 69.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 1.1 m-85 -178.56 170.65 0.78 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' O ' ' OG1' ' A' ' 97' ' ' THR . 18.3 Cg_endo -75.02 85.0 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 96' ' ' PRO . 11.5 p 52.33 66.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -124.47 60.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 147.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -49.98 -23.25 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.67 88.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -155.24 -56.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -42.9 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER 74.66 -62.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -134.4 72.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.8 136.38 50.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.83 111.0 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p -124.73 106.21 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -129.11 149.57 50.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 126' ' ' SER . . . -142.9 144.24 13.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.5 141.65 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.43 79.71 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.97 120.32 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.54 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -159.22 93.56 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -175.52 120.05 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.811 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 mtt -168.49 74.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.25 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.4 -22.86 67.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.98 109.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.39 153.83 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.5 mp -130.29 100.77 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -113.05 173.51 6.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -164.09 149.48 10.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.43 ' HB2' ' CA ' ' A' ' 110' ' ' GLY . 17.4 p -138.25 150.26 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 127' ' ' TYR . 24.2 p90 -109.33 122.68 47.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.07 122.37 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -109.63 147.29 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.01 134.51 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.039 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -102.01 32.54 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.5 pt -103.2 53.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 54.89 48.28 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.436 ' O ' ' CG2' ' A' ' 135' ' ' VAL . 3.2 m -133.87 -64.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' A' ' 134' ' ' SER . 16.8 m 45.83 35.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -145.94 34.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.1 t -93.43 102.64 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -86.69 140.01 16.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.9 m -150.37 101.15 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.383 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 53.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.58 -177.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -152.74 89.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.83 127.26 27.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.4 123.17 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.426 ' CA ' ' HA ' ' A' ' 5' ' ' VAL . . . -129.03 -161.42 10.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -110.85 103.13 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.0 m 50.15 -100.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 p -162.46 133.15 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.6 m -148.68 -101.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.5 p -162.51 144.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 m -141.38 151.46 43.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.7 81.11 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.74 -179.83 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -166.19 94.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 111.018 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -123.84 95.84 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.62 152.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 -66.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.95 147.4 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -118.12 136.18 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.27 70.43 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -154.59 -79.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.42 82.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.5 mtt 54.57 92.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -126.22 107.5 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.93 91.93 2.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.6 85.57 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.06 159.31 21.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.95 132.94 1.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.9 p90 173.83 130.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 p30 164.2 46.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.7 tt -162.93 138.81 7.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -168.13 97.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -128.22 110.16 12.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.42 ' HB3' ' CD1' ' A' ' 40' ' ' ILE . 2.4 ptt-85 -138.66 172.37 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -131.66 109.65 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.09 135.72 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -140.02 40.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.0 t70 83.26 -50.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -137.32 67.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 t -139.46 71.1 38.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.63 4.32 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.29 102.77 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.88 178.77 48.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.85 128.83 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.42 ' CD1' ' HB3' ' A' ' 29' ' ' ARG . 7.3 tp -109.1 141.68 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.45 -165.89 10.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.0 p -176.22 142.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.01 98.86 7.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.24 119.25 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.04 110.45 23.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.5 p -86.18 114.86 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -101.89 44.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 124.72 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -174.21 167.04 4.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 -63.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m 62.5 121.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.371 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 46.26 59.45 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -171.01 -60.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 t -107.97 -38.99 5.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.45 45.86 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -134.77 123.1 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.06 33.83 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 41.28 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -41.13 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -173.23 -66.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -178.02 148.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -147.57 161.56 40.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -172.44 -169.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.84 163.67 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 mt -82.74 137.68 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.739 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.474 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 99.5 m -112.85 90.9 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 66' ' ' THR . . . 82.12 -147.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.52 -115.0 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.58 42.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.02 160.58 29.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.19 171.44 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.8 154.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.4 mt 42.81 83.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -106.92 82.88 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.534 ' HB2' ' CD1' ' A' ' 76' ' ' TRP . 14.9 p30 -115.05 -50.4 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' OD1' ' A' ' 116' ' ' ASN . 9.2 p-90 -179.85 56.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.0 -179.73 5.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -162.69 74.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.6 pp -127.76 147.73 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -176.05 98.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 55.92 164.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 p -155.84 124.85 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -173.44 149.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.75 -172.26 15.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.89 55.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.99 133.04 11.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.557 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 46.7 p90 -178.35 -178.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.11 50.49 9.22 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 40.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 27.1 p90 -173.35 84.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.59 139.55 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.401 ' O ' ' CG2' ' A' ' 92' ' ' THR . 10.3 t -133.94 103.88 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.446 ' OG1' ' N ' ' A' ' 94' ' ' GLU . 10.0 t -125.12 -145.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.446 ' N ' ' OG1' ' A' ' 93' ' ' THR . 0.6 OUTLIER 166.12 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -162.71 167.62 11.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.47 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.5 m 64.0 60.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -136.57 49.45 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -47.07 146.69 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -117.95 56.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -42.71 156.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -134.06 165.14 25.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.41 100.21 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.68 100.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.434 ' CD1' ' C ' ' A' ' 105' ' ' TYR . 9.2 p90 -93.97 157.29 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 145.1 153.02 5.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -173.49 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -131.82 147.39 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -161.83 136.74 7.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.92 -100.04 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -179.23 158.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -96.63 157.45 21.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.4 tp -158.24 119.88 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 166.83 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.1 158.02 25.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.591 ' OD1' ' CE3' ' A' ' 76' ' ' TRP . 1.4 t30 -84.0 141.68 40.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.25 34.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.0 ttt -107.56 -60.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.84 -69.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -158.46 76.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.2 p -166.56 128.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.76 100.89 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.32 178.48 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -157.22 123.15 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.54 110.93 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.4 t -129.06 173.11 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.051 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -110.46 108.61 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -103.21 91.5 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.402 ' CG ' ' HA ' ' A' ' 136' ' ' ASP . 3.4 tt0 -167.29 144.35 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 p -81.73 179.69 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.57 35.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.7 pt -115.68 39.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 132' ' ' ILE . 2.9 tpp180 36.0 50.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.5 t -147.59 -72.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 55.7 t -83.64 144.44 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.402 ' HA ' ' CG ' ' A' ' 129' ' ' GLN . 6.0 t0 -155.66 72.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.5 t -82.17 144.84 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -78.96 133.41 12.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' THR . . . . . 0.435 ' O ' ' CG2' ' A' ' 139' ' ' THR . 12.8 t -85.52 109.34 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -138.5 53.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 46.4 mm -74.41 139.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -179.56 102.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -129.73 156.73 21.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.57 110.95 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -108.88 146.44 16.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.94 -171.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.54 123.26 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.0 p -128.45 165.87 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.97 76.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -107.74 152.45 24.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.9 p -124.17 128.04 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 t -103.21 117.78 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.441 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.12 83.6 0.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.55 114.91 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.05 111.39 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -94.32 134.29 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -158.15 108.33 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -165.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -164.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -165.6 106.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? 67.77 -67.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -114.46 -109.15 2.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.32 71.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' LYS . 4.2 mpp? -111.54 62.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.409 ' N ' HD21 ' A' ' 19' ' ' ASN . 1.5 m-80 60.57 -86.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 77.8 -56.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 mmt 61.71 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . 165.1 -126.03 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.46 -141.42 4.77 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -152.46 122.29 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.24 104.81 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.414 ' N ' ' CB ' ' A' ' 42' ' ' SER . 0.5 OUTLIER -169.84 134.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.98 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.97 154.01 27.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.53 146.78 52.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -124.66 109.89 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -104.81 175.51 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.82 164.57 31.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.4 17.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.04 30.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.05 84.21 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 62.66 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.69 111.53 5.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.72 167.75 46.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -173.82 46.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.2 tt -165.47 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.35 -146.52 11.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' N ' ' A' ' 26' ' ' LEU . 9.6 t -143.7 149.47 37.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.736 . . . . 0.0 110.055 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' O ' ' CD2' ' A' ' 43' ' ' PHE . 27.6 p90 -177.41 82.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.483 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 1.5 t -179.4 48.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -165.32 79.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -99.32 155.23 17.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.99 106.09 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 129.44 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ARG . 16.3 p -72.03 61.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -38.17 -35.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.511 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 52.6 m 65.95 -68.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.511 ' CB ' ' O ' ' A' ' 51' ' ' THR . . . 84.27 54.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -159.85 55.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.9 OUTLIER 85.27 -5.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 57' ' ' TYR . . . -78.81 -21.09 69.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.51 -67.7 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -177.17 140.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -73.09 147.44 44.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 166.27 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.42 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 3.7 t-20 68.6 158.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.01 98.29 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.483 ' CE2' ' HB ' ' A' ' 44' ' ' THR . 1.3 t80 -179.93 112.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.36 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 43' ' ' PHE . . . -148.99 61.76 0.43 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.455 ' HA ' ' CB ' ' A' ' 43' ' ' PHE . 2.8 mp -91.25 122.52 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -167.91 134.18 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.94 -170.58 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.42 70.65 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.461 ' HD2' ' CE1' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 167.31 27.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.28 122.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -98.95 155.72 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 67.44 -165.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.3 mm -106.87 -74.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.63 57.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.32 -59.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.9 82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 -73.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 m 61.45 42.53 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -146.32 76.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.463 ' HB2' ' CD2' ' A' ' 113' ' ' LEU . 93.5 t80 -105.61 101.96 11.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.92 101.92 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.72 163.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.65 88.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.34 163.23 18.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -140.41 69.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.295 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.56 132.49 4.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.94 132.71 36.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.5 156.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 150.21 28.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -84.4 -151.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.435 ' HG3' ' CA ' ' A' ' 96' ' ' PRO . 7.6 pm0 -147.52 156.27 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.471 ' CG2' ' HG3' ' A' ' 99' ' ' LYS . 14.5 t -134.76 -152.64 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.418 ' CB ' ' O ' ' A' ' 92' ' ' THR . 4.1 m 77.22 -64.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.64 -39.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -158.58 170.28 9.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.435 ' CA ' ' HG3' ' A' ' 91' ' ' GLN . 18.4 Cg_endo -75.01 54.9 3.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.3 p -132.73 -43.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.32 66.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.471 ' HG3' ' CG2' ' A' ' 92' ' ' THR . 1.9 tmtt? -176.52 -155.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.16 56.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -76.24 59.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -126.07 111.41 14.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.8 p -69.85 97.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.27 116.55 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -141.87 141.83 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.407 ' O ' ' CD1' ' A' ' 107' ' ' PHE . . . -166.43 -109.93 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 106' ' ' GLY . 44.7 m-85 -153.1 161.93 41.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.448 ' HB2' ' CB ' ' A' ' 129' ' ' GLN . 21.9 p -128.68 139.16 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -124.82 131.96 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.55 -168.92 23.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -127.97 154.04 46.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -170.08 106.5 0.24 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.463 ' CD2' ' HB2' ' A' ' 80' ' ' TYR . 1.0 OUTLIER -130.78 -165.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -137.33 149.4 47.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.41 89.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 166.29 80.02 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 88.36 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.8 mtt -143.27 -82.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -101.88 -87.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 120' ' ' ASN . 4.3 p30 -171.38 63.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 9.9 p -119.01 167.72 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -130.79 96.39 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 tp -93.74 86.01 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.61 -163.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -177.3 -171.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER -165.36 -174.65 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.425 ' N ' ' OG ' ' A' ' 126' ' ' SER . 1.4 t80 -172.22 48.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 1.5 tt0 -171.22 167.76 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.465 ' CB ' ' O ' ' A' ' 128' ' ' GLU . 4.0 mt-30 163.52 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 p -113.52 163.68 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.24 37.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.523 ' CG2' ' N ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -161.37 -148.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.523 ' N ' ' CG2' ' A' ' 132' ' ' ILE . 3.3 ttt-85 -60.75 -58.12 9.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ASP . 57.8 p -41.26 -45.0 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.502 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 0.3 OUTLIER 37.63 33.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 134' ' ' SER . 2.1 t70 -170.5 62.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -127.67 97.77 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -105.59 122.7 7.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.2 m -137.52 71.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -173.92 169.66 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -168.86 -45.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -169.62 173.0 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.13 134.84 5.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . 0.418 ' CG1' ' O ' ' A' ' 144' ' ' VAL . 4.7 p -132.32 113.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.55 3.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.84 112.11 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.747 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 167.35 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.4 m -80.38 148.97 30.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.14 74.51 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.1 m -98.72 134.79 41.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.0 t -107.51 102.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.8 p -135.01 114.95 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.67 -146.39 17.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.63 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -67.31 132.38 47.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.76 119.99 18.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -124.52 165.85 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -160.05 125.9 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.42 120.46 34.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.95 172.16 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.25 71.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.3 -43.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 71.56 56.03 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 0.749 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 tpp -160.45 68.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.59 135.77 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -132.63 86.08 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -102.24 133.81 46.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.34 121.0 2.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.43 -177.87 35.81 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 35.9 p90 -177.74 120.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 164.81 101.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -174.55 40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 83.02 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -150.03 69.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -80.65 159.07 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -112.98 84.68 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.08 95.9 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.51 -160.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -57.05 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -116.39 54.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.0 p -91.23 141.91 26.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -84.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.01 167.69 20.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.27 62.61 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 19.5 m -91.75 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.737 . . . . 0.0 109.29 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 16.6 tt -80.28 135.62 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.97 42.21 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.64 116.83 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -168.72 104.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 m -108.49 157.36 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.18 94.6 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.04 160.12 43.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.94 153.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -69.86 -60.72 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 p 59.43 167.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.23 80.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 110.278 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 m -72.94 -66.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.34 -48.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 m -160.84 67.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.2 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.36 -68.21 1.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.54 -64.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -161.22 107.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -111.09 108.12 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 71.32 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -136.11 139.27 42.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -114.43 156.26 24.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 92.01 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -179.94 -163.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.85 165.79 38.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 8.1 tt -80.6 116.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 p -124.49 113.31 17.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -77.98 154.75 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.93 107.35 3.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.28 89.17 7.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.93 47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.83 144.83 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.416 ' CG2' ' N ' ' A' ' 74' ' ' ASN . 0.1 OUTLIER -111.23 -49.39 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' CG2' ' A' ' 73' ' ' ILE . 25.3 p30 -171.26 50.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -65.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -172.24 79.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 108.066 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.55 132.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.67 161.82 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.3 mt -101.72 115.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.08 107.82 18.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.57 80.47 0.31 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 3.3 m -86.23 117.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.56 122.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.38 152.64 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.4 t -111.55 113.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.85 140.21 11.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.74 96.34 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.92 71.44 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.32 64.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -168.7 177.3 5.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER 175.87 179.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 m -39.7 95.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' GLN . 17.1 m -95.6 84.53 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.51 -57.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -106.89 163.71 16.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 64.96 6.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.558 ' C ' ' CG ' ' A' ' 98' ' ' TYR . 21.2 m -129.32 -54.28 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CG ' ' C ' ' A' ' 97' ' ' THR . 5.4 p90 36.67 48.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.35 78.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.49 -52.97 62.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.72 -69.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.6 p -128.98 175.19 8.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.7 p -179.87 137.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 177.62 -177.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -102.29 116.44 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.62 146.71 17.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.21 134.31 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -109.35 90.55 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.974 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -113.57 113.28 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -146.25 175.54 25.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.89 42.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -153.81 153.63 24.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.063 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.547 ' N ' ' CD1' ' A' ' 113' ' ' LEU . 0.0 OUTLIER -128.94 -178.02 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -168.05 120.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -108.28 -166.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -124.26 108.06 29.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 ptm -159.38 -43.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -103.81 -86.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -174.63 72.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 121' ' ' VAL . 8.1 p -146.28 100.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.557 ' HB3' ' CD1' ' A' ' 146' ' ' TYR . . . -111.67 173.93 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.2 pp -155.05 122.11 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.57 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.375 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 125' ' ' PHE . 3.2 p90 -169.44 135.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.1 m -113.03 131.98 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -121.18 120.12 34.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.9 176.11 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -165.23 169.3 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 t -80.96 137.71 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -150.03 20.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.435 HG12 ' N ' ' A' ' 133' ' ' ARG . 0.2 OUTLIER -132.93 -139.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 134' ' ' SER . 0.8 OUTLIER -41.28 -66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER 163.21 52.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.958 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.95 131.08 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.08 103.69 12.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.55 157.03 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.49 87.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 13.4 t -86.55 172.28 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -156.44 101.17 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 107.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.6 pt -109.33 167.62 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.74 99.79 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.61 121.18 6.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.94 150.46 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 70.82 161.74 4.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 21.6 p90 -176.33 55.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.16 131.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 68.8 p -65.3 160.27 22.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.88 114.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -123.95 142.6 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.09 121.63 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -152.89 113.47 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' N ' ' HA3' ' A' ' 143' ' ' GLY . . . 141.05 -170.67 24.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 126.91 -77.79 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.4 m-85 -48.58 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 110.99 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . -113.77 150.21 33.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -152.48 121.91 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 63.8 174.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 13.3 m-20 -170.37 46.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.1 131.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.413 ' HB2' ' CB ' ' A' ' 136' ' ' ASP . 2.2 tt0 -49.27 117.87 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.63 89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.32 -44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm 55.7 84.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.74 128.27 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.76 -173.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.52 -49.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.79 -86.75 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.62 -163.49 27.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.44 116.76 27.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -109.56 167.26 10.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.64 88.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -55.25 122.24 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.76 109.4 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.1 128.22 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -113.4 127.51 56.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -144.16 153.89 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -134.63 176.11 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -45.75 61.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.07 -51.52 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.23 150.53 1.91 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.19 70.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.9 134.15 12.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 ' CG2' ' HB2' ' A' ' 67' ' ' ALA . 9.0 p -172.67 58.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.75 146.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.48 76.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m 178.12 71.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -155.53 109.81 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 63' ' ' TYR . 3.8 t -142.26 174.99 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -128.26 151.74 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 p -85.66 163.16 18.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -146.76 81.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.14 -160.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.02 -169.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 57.25 99.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 m 48.18 71.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.04 -64.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -4.39 44.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 t 61.41 44.44 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 56' ' ' ASP . . . -98.76 -47.49 1.93 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.565 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 1.7 t70 163.27 -43.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 53.6 p90 40.4 -163.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.46 -63.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.97 151.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.06 115.07 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER 173.22 76.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 84.6 m-85 -162.22 172.61 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.469 ' CD1' HG23 ' A' ' 44' ' ' THR . 10.8 t80 -172.97 -173.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.89 159.93 13.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.07 128.16 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.9 p -141.86 171.2 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.424 ' HB2' ' CG2' ' A' ' 39' ' ' VAL . . . -172.77 153.16 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.57 133.55 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.9 145.12 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -168.13 175.73 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 62.2 132.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.55 143.33 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.0 -169.18 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -58.53 -54.34 48.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -167.24 56.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.86 149.93 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.43 145.95 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mm -131.61 115.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.53 ' CD1' ' O ' ' A' ' 80' ' ' TYR . 8.5 p90 -125.37 128.2 47.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -127.22 139.39 11.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -133.13 142.87 40.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 141.46 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.4 -158.61 8.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -142.87 104.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.2 153.32 52.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.81 -178.49 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA3' ' CE2' ' A' ' 90' ' ' PHE . . . -38.23 131.35 1.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -119.42 73.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE2' ' HA3' ' A' ' 88' ' ' GLY . 7.1 m-85 -91.52 165.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.17 -56.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.406 ' CB ' ' HA ' ' A' ' 57' ' ' TYR . 12.9 t -171.69 -153.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.406 HG22 ' N ' ' A' ' 94' ' ' GLU . 9.2 m -161.2 -96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.406 ' N ' HG22 ' A' ' 93' ' ' THR . 1.7 tt0 -150.17 -59.73 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -117.89 168.44 9.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.85 4.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.419 HG23 ' N ' ' A' ' 98' ' ' TYR . 14.7 t -112.12 -44.32 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.419 ' N ' HG23 ' A' ' 97' ' ' THR . 1.1 m-85 -172.2 -175.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' C ' ' OG1' ' A' ' 93' ' ' THR . 0.0 OUTLIER -91.15 -173.05 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.42 -53.66 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.08 -68.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -172.58 -172.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.5 m -54.71 137.92 43.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.47 166.47 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -173.45 162.71 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.04 -157.68 9.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.466 ' O ' ' CB ' ' A' ' 108' ' ' SER . 2.7 t80 -147.69 68.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 107' ' ' PHE . 0.4 OUTLIER 162.06 146.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER 179.69 46.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -157.12 118.42 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 127' ' ' TYR . . . 178.49 80.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -122.01 179.69 16.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.29 108.38 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -125.75 100.03 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -168.69 104.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 122' ' ' ALA . 2.2 p-10 -146.07 149.63 39.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.89 4.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.436 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -177.32 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -18.96 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -74.64 -18.86 60.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 p -161.61 118.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 116' ' ' ASN . . . -114.07 -169.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.63 106.26 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -56.22 136.53 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -164.17 54.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.7 m -108.76 114.5 28.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 111' ' ' ALA . 24.1 p90 -124.5 125.39 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . 0.444 ' HB2' ' CD1' ' A' ' 109' ' ' TYR . 3.1 pt-20 -80.71 161.02 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -109.86 127.04 54.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.5 p -131.61 128.03 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.71 36.01 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.2 tp -111.95 61.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 79.82 -53.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -43.92 -48.68 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.0 t 63.79 -79.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -94.59 95.73 8.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 12.7 p -82.05 142.32 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.71 72.56 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 8.2 t -101.61 64.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -80.12 106.71 12.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.52 125.35 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -96.24 116.4 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.4 ' HA3' ' N ' ' A' ' 7' ' ' GLY . . . -126.33 178.21 16.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.31 148.77 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -78.64 103.21 1.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.24 145.48 51.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -145.05 131.15 19.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.407 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m 68.42 -68.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 1' ' ' ALA . 89.2 p -140.87 170.07 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.432 ' CG2' ' HA ' ' A' ' 147' ' ' ARG . 67.4 p -121.5 176.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 63.0 t -111.22 70.64 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -121.47 154.05 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.85 58.1 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.33 151.39 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -144.16 141.14 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.45 156.27 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -100.24 99.86 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -71.17 94.85 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' CB ' ' A' ' 14' ' ' ALA . 1.4 p-10 -163.4 106.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' CB ' ' O ' ' A' ' 13' ' ' ASP . . . 169.97 -178.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 39.5 60.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.07 -26.24 10.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 77.78 26.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -155.05 89.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -155.99 124.83 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 102.53 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.5 ttt -136.47 110.88 8.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.48 136.8 14.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.0 138.24 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -152.62 113.7 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -115.73 147.65 40.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 94.16 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -41.55 109.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -112.28 85.02 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -105.75 144.73 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -126.28 133.33 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -98.02 114.96 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -121.6 -173.42 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.58 61.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.19 -51.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.68 117.87 66.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.42 ' N ' HD12 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 61.08 5.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.454 ' CD2' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -171.51 -177.74 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.11 122.66 2.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -82.5 131.1 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.9 mm -119.68 100.29 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.63 -172.58 32.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 p -173.81 146.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -153.23 101.26 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 t -118.71 122.09 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -82.42 143.42 31.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.9 m -97.86 94.08 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -93.53 109.62 21.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' ARG . 2.2 tttt -138.67 161.79 36.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.8 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' LYS . 2.2 ttp85 57.06 101.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 m -71.68 -69.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -166.58 -57.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -172.58 96.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 78.64 45.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.952 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.51 -59.88 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 178.41 155.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -141.85 135.9 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.87 140.0 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -50.0 175.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 7.7 t-20 80.42 99.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.01 166.19 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 48.4 p90 -80.03 129.22 34.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -171.73 40.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.24 142.99 16.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 3.8 mp -135.88 96.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 m -98.53 157.22 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.75 173.13 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.66 158.66 8.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.41 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -171.62 90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.498 ' CG ' ' O ' ' A' ' 71' ' ' TYR . 12.7 p90 -164.51 113.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.83 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.511 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.0 OUTLIER -164.21 78.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 43.32 56.85 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.59 -83.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.88 51.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.33 132.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.63 57.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.86 122.29 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -92.65 177.84 5.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.99 65.96 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 5.3 m -85.95 150.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.28 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 83' ' ' VAL . 8.6 p -102.58 105.51 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.96 123.76 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 53.1 t -124.14 82.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.48 131.84 10.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 30.7 m-85 -146.86 100.77 3.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 0.74 . . . . 0.0 110.957 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.38 131.49 10.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.73 168.25 17.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -91.87 143.52 26.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.44 63.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.36 103.49 11.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.347 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.4 97.55 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -167.61 -51.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -80.9 170.4 15.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.4 ' O ' ' OG1' ' A' ' 97' ' ' THR . 18.4 Cg_endo -74.96 136.78 20.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.4 ' OG1' ' O ' ' A' ' 96' ' ' PRO . 49.4 p 47.61 40.9 12.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -46.99 170.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -69.54 -89.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 1.9 t-20 75.84 31.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -156.33 93.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.08 150.25 35.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -136.52 89.63 2.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.26 149.73 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.517 ' CG ' ' O ' ' A' ' 105' ' ' TYR . 13.5 p90 -170.99 99.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.44 152.94 17.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.55 124.5 50.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.79 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.5 m -88.4 141.37 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -149.6 141.81 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -165.75 -175.32 36.13 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.63 113.23 20.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.7 93.99 1.78 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.57 99.37 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -113.14 144.66 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.88 177.29 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -82.24 139.98 45.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 141.56 26.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.9 ttt -71.85 -59.92 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.38 -56.49 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.97 83.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -176.82 119.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.63 137.26 36.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.87 85.71 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.493 ' CG ' ' CD1' ' A' ' 141' ' ' ILE . 36.1 p30 -79.7 152.75 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -141.92 114.92 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.29 91.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -81.79 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.51 80.57 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -82.98 113.46 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 m -80.12 158.06 26.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.968 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -118.92 36.13 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 4.7 mm -80.07 77.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER 78.98 -58.38 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 135' ' ' VAL . 91.5 p -177.16 85.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.03 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.479 ' CB ' ' O ' ' A' ' 134' ' ' SER . 0.4 OUTLIER 83.91 -176.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.456 ' N ' ' CG1' ' A' ' 135' ' ' VAL . 19.5 t0 176.65 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -173.95 160.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.56 113.78 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 15.2 t -174.11 41.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.382 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.46 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.493 ' CD1' ' CG ' ' A' ' 124' ' ' ASP . 1.6 pp -110.06 154.96 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -172.89 139.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.81 169.6 42.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.49 168.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -127.07 117.97 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -169.66 102.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.432 ' HA ' ' CG2' ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.38 153.7 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 3' ' ' SER . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m 63.35 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.474 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 1' ' ' ALA . 4.2 m -89.37 106.18 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -140.92 155.68 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.435 ' CG1' ' O ' ' A' ' 5' ' ' VAL . 6.9 p -132.5 108.5 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.474 ' OG1' ' CD2' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -89.91 155.42 19.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.455 ' O ' ' CG2' ' A' ' 141' ' ' ILE . . . -104.64 76.21 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.78 141.91 15.57 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.411 ' CD1' ' O ' ' A' ' 23' ' ' GLY . 5.3 t80 -177.86 126.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 117.6 21.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -91.5 130.81 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -43.03 127.19 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 177.47 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.36 -178.3 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.03 59.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.55 67.59 1.89 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.78 44.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.9 mtm -74.52 -76.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 74.08 -65.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -179.77 126.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 ptm -171.57 126.35 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.84 141.09 6.75 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 9' ' ' TYR . . . -121.27 161.37 15.35 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -113.2 135.52 53.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -119.22 138.28 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -125.99 152.1 46.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -124.35 135.8 53.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -178.92 83.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.0 -155.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -105.69 109.95 22.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.67 141.53 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.31 -170.86 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -52.72 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -148.94 59.11 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -93.78 122.88 61.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.35 4.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.79 . . . . 0.0 111.032 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.05 105.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.63 140.26 15.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.9 t -120.24 124.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mm -133.5 125.83 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.1 124.78 1.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.18 -173.89 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -106.16 111.09 23.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -129.53 107.16 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -132.87 164.12 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.4 m -111.68 127.22 55.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.01 88.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.53 157.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -162.08 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.04 89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.45 ' O ' ' CB ' ' A' ' 52' ' ' ALA . 11.1 t -110.03 -152.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' CB ' ' O ' ' A' ' 51' ' ' THR . . . 166.91 47.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.86 43.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.69 -44.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.67 61.56 1.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -141.94 76.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -95.6 100.3 12.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 177.78 -176.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 pttp 175.27 130.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 170.22 107.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -130.25 -149.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -170.76 -163.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -122.63 179.82 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.93 -89.11 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.446 ' CG2' ' O ' ' A' ' 65' ' ' ILE . 0.9 OUTLIER -168.55 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.9 t -87.94 106.8 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.91 -169.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.07 65.39 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.47 112.0 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.509 ' CD1' ' CE1' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -102.15 161.47 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 42.83 69.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 tt -74.62 72.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.6 -50.34 5.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 12.7 m-20 -118.73 -75.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.471 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 179.56 63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.025 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.41 -144.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.2 m 63.15 133.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.527 ' O ' ' CG2' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -168.82 91.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.509 ' CE1' ' CD1' ' A' ' 71' ' ' TYR . 9.1 p90 -129.33 129.24 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.07 108.31 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.03 135.72 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.56 94.16 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.73 120.88 2.24 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 13.3 p -111.82 115.02 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.802 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.71 161.22 24.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.31 118.98 29.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.99 115.39 4.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -179.63 109.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -168.43 -169.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 66.42 177.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.21 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 2.5 m 76.34 -55.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 93' ' ' THR . 0.8 OUTLIER 85.68 -7.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -86.13 168.9 17.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 60.18 5.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -163.96 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 57.49 164.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 -76.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 41.63 59.89 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.44 153.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.1 m -39.51 -84.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.59 86.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.62 -47.06 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 2.8 p90 -139.81 127.12 21.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -129.96 123.92 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.9 120.52 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.5 p -81.22 114.27 19.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -112.3 118.61 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -156.69 119.06 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.98 153.49 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.47 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.5 95.89 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -177.16 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -159.23 169.14 24.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -134.78 65.96 67.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.25 3.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -175.07 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.43 -26.79 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.88 -43.23 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.5 81.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.17 78.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' CD2' ' OG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -168.55 -154.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 32.3 m-20 -142.19 158.4 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 126' ' ' SER . 3.1 p90 -151.34 138.89 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER 159.36 -83.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.03 157.03 47.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -177.82 63.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -155.7 -167.61 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -92.52 170.68 9.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.82 70.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.14 66.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.6 56.75 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 -72.06 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.3 t -131.98 123.42 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -115.65 102.41 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 95.3 t -95.78 122.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.45 145.98 41.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 126' ' ' SER . 2.2 m -131.03 145.07 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.22 81.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.455 ' CG2' ' O ' ' A' ' 7' ' ' GLY . 15.4 mm -151.11 -44.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.17 150.4 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 149.79 -18.92 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -112.32 154.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.52 -178.53 41.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.12 147.5 21.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 147.11 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 3' ' ' SER . 1.0 OUTLIER -86.79 166.18 15.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 2' ' ' THR . 0.1 OUTLIER -83.88 57.74 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 p -62.8 165.24 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -145.77 81.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.9 t -135.75 149.7 49.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.38 135.64 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.56 -126.66 0.86 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -175.53 154.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.85 138.52 41.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -85.01 148.66 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.43 ' HB3' ' CA ' ' A' ' 21' ' ' MET . 4.3 t -123.6 90.61 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.445 ' HB3' ' CG1' ' A' ' 137' ' ' VAL . 0.4 OUTLIER -136.31 151.97 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . 176.45 119.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.42 -62.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.38 -63.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -168.46 91.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.76 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -51.06 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -177.88 -76.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.12 139.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.43 ' CA ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -66.05 145.43 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.01 58.19 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 130.39 3.75 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -124.68 157.7 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 p-10 -94.04 129.66 40.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.35 111.57 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 ptpp? -67.86 118.27 10.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -178.11 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -177.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.81 83.38 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.43 94.07 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 170.83 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -47.82 72.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -47.13 -48.82 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -82.26 116.34 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -102.68 118.62 37.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.79 164.98 28.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.83 143.6 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 pp -106.96 140.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.15 179.66 18.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.2 p -176.43 87.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.77 61.09 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -112.46 167.57 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 44' ' ' THR . 44.0 p90 -110.56 136.93 48.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -99.06 165.89 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 2.9 pp20? -86.85 147.19 25.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 11.9 mttt 168.36 51.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.5 t -119.41 158.58 25.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 49' ' ' SER . 2.5 ttt85 82.18 66.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 8.9 t -163.21 57.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.451 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -108.31 -157.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -96.82 -29.9 13.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -165.88 45.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.34 98.75 0.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.436 ' O ' ' N ' ' A' ' 58' ' ' ASN . 0.1 OUTLIER -166.82 120.48 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -44.14 94.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.3 t30 -101.45 96.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 62' ' ' TYR . 1.4 ttpp 71.66 -60.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 70.55 -64.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -126.61 160.74 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -131.1 171.02 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.26 130.01 30.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.37 155.1 26.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.68 132.85 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.1 p -82.34 109.9 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.54 93.32 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.32 94.72 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.78 98.13 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.415 ' O ' ' CB ' ' A' ' 72' ' ' ARG . 50.8 t80 -158.85 101.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.415 ' CB ' ' O ' ' A' ' 71' ' ' TYR . 0.1 OUTLIER 164.05 102.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 6.7 pt -154.32 114.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.58 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.76 -52.48 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -114.66 82.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.98 168.58 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.55 141.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 80' ' ' TYR . 31.9 mt -80.43 162.23 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 1.2 t80 -144.14 65.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.53 96.78 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.6 t -114.38 154.62 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 14.2 p -128.14 106.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.08 121.28 5.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 14.2 m -121.21 107.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.277 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.93 78.7 1.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.12 145.35 41.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.66 -149.22 5.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.14 129.38 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CE1' ' OG1' ' A' ' 102' ' ' THR . 1.2 p90 -112.02 157.3 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.499 ' HG2' ' CD2' ' A' ' 98' ' ' TYR . 13.1 mt-30 -125.94 137.81 53.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.537 ' O ' ' CB ' ' A' ' 93' ' ' THR . 22.1 m -86.08 80.17 8.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.537 ' CB ' ' O ' ' A' ' 92' ' ' THR . 0.6 OUTLIER 85.25 -15.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 93' ' ' THR . 2.0 tt0 86.68 29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.542 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER -84.81 -177.54 0.98 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.07 1.89 7.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.448 ' O ' ' N ' ' A' ' 99' ' ' LYS . 7.6 m -131.6 13.04 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.499 ' CD2' ' HG2' ' A' ' 91' ' ' GLN . 38.4 p90 -37.01 -31.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -73.18 62.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -69.98 -67.22 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.71 134.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.594 ' OG1' ' CE1' ' A' ' 90' ' ' PHE . 3.8 m -161.0 -88.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 69.1 p 53.01 74.13 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -133.01 176.76 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -169.1 137.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.32 175.25 45.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -135.12 118.72 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 m -141.51 128.84 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.441 ' CD1' ' N ' ' A' ' 109' ' ' TYR . 7.4 p90 -157.56 159.16 36.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -142.19 -124.77 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.58 113.55 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.48 ' O ' ' CB ' ' A' ' 113' ' ' LEU . . . 37.92 -139.18 0.57 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.48 ' CB ' ' O ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 165.79 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.72 159.41 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 116' ' ' ASN . 6.1 p90 -142.58 -154.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.533 ' O ' ' CE2' ' A' ' 115' ' ' PHE . 0.8 OUTLIER -88.74 118.03 68.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.9 40.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.4 ptt? 176.02 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -0.05 30.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 64.27 55.51 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.56 140.93 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.22 151.59 19.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.1 tt -147.46 78.97 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -44.35 114.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -97.04 84.52 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 80.9 p -104.88 158.34 16.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.96 143.96 49.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.12 121.3 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -148.6 112.06 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 28.1 p -103.65 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.93 71.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.473 ' O ' ' CG2' ' A' ' 132' ' ' ILE . 0.2 OUTLIER -138.36 48.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.63 31.48 16.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.43 ' O ' ' CG1' ' A' ' 135' ' ' VAL . 2.4 m -149.6 -58.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.43 ' CG1' ' O ' ' A' ' 134' ' ' SER . 11.0 p 44.33 46.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.77 -32.53 11.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.445 ' CG1' ' HB3' ' A' ' 13' ' ' ASP . 1.8 t -145.57 -173.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -169.75 -90.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 1.8 t -175.02 136.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.396 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.491 ' CE3' ' O ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -116.2 140.89 48.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.042 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.491 ' O ' ' CE3' ' A' ' 140' ' ' TRP . 5.5 tt -108.33 167.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -149.23 148.73 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.21 155.91 26.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.5 p -147.7 63.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 127.21 156.99 9.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 13.5 p90 -175.57 45.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.51 132.72 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 55.9 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m 70.63 -61.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -133.65 112.69 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -120.88 106.24 11.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.09 115.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.8 p -121.14 125.65 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.63 109.45 0.67 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.16 -147.2 5.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -115.28 -167.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.49 110.67 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -152.15 163.15 39.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -116.18 142.24 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -143.08 112.65 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -178.03 -179.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 55.83 -87.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . 166.23 68.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 77.66 59.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.8 tpt -99.12 60.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 61.59 123.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.38 154.66 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -149.63 -64.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.97 -172.98 28.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.88 -161.85 33.12 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -120.26 161.76 20.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -133.21 130.27 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.5 161.63 21.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.19 147.27 27.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.4 138.75 54.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.34 155.54 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -178.7 47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -151.87 166.64 30.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.12 177.31 9.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.08 5.11 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -104.89 -12.27 16.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -158.63 98.01 1.73 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 79.74 2.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tp -161.06 86.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.86 166.75 14.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.85 122.88 53.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 pt -102.98 66.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 117.07 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.5 m -143.29 168.58 19.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 16.4 p90 -122.83 136.2 54.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.3 m -126.34 163.71 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 45' ' ' TYR . 2.1 p90 -141.21 132.84 27.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.3 m -102.31 158.26 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.57 45.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -128.44 159.02 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t 76.99 -157.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 44.04 88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 m 63.41 85.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.81 -71.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.6 t -90.49 -76.78 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 t -165.88 31.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' TYR . . . -94.32 -26.83 12.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.69 -79.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' GLY . 42.4 m-85 -147.38 111.36 5.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 23.5 p-10 -175.4 108.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER 165.77 -75.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 79.05 -64.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -165.44 140.4 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -80.42 115.24 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.63 145.71 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.67 90.34 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . 0.431 ' CG1' HG13 ' A' ' 85' ' ' VAL . 1.1 pt -83.4 109.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.38 138.54 53.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.13 103.3 7.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.51 108.35 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -169.62 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.23 111.62 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.76 152.91 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.11 70.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -109.57 -44.74 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 175.11 68.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.09 -74.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.499 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -171.67 55.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 76' ' ' TRP . . . 83.51 -68.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.4 p -174.71 111.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.87 151.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -178.01 134.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.54 158.13 52.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 33.7 m -102.3 177.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.54 121.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 107' ' ' PHE . . . -148.65 -173.53 19.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.431 HG13 ' CG1' ' A' ' 65' ' ' ILE . 12.1 p -137.59 93.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -53.36 159.43 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.677 ' CE2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 t80 -158.06 72.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.88 39.69 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -135.31 121.03 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CE2' ' CE2' ' A' ' 87' ' ' TYR . 1.3 m-85 -157.43 175.97 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.408 ' O ' ' O ' ' A' ' 92' ' ' THR . 2.8 mm-40 45.73 -171.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.483 ' OG1' ' N ' ' A' ' 93' ' ' THR . 45.4 p -55.07 -108.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.483 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 173.31 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -72.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.19 170.73 7.76 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 57.34 4.53 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -137.9 -53.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -99.23 79.99 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -49.06 172.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -40.55 -61.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.71 -72.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 100' ' ' ASN . 2.5 t -104.19 155.12 18.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.4 m -114.58 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -178.42 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -157.48 170.81 21.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.28 118.71 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.44 ' CE2' ' HA3' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -167.35 -172.93 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.976 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' N ' ' A' ' 130' ' ' SER . 0.1 OUTLIER 175.5 -154.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.77 -167.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.64 -118.51 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.08 143.98 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.08 108.4 2.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.23 79.99 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -111.1 87.01 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -144.64 175.71 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -104.79 114.63 63.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -120.28 -37.61 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.81 -80.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.8 t30 177.84 76.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.44 146.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.91 171.47 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -173.73 123.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.82 127.39 33.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -86.78 48.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t 39.62 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -157.97 93.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 179.29 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.494 ' O ' ' CB ' ' A' ' 130' ' ' SER . 0.0 OUTLIER 168.47 151.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 129' ' ' GLN . 2.9 t 159.73 61.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 3.2 tpm_? -94.93 -70.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.488 ' O ' ' CG1' ' A' ' 132' ' ' ILE . 0.8 OUTLIER 179.29 38.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -42.04 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 36.1 m -133.26 8.39 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 3.6 t 77.45 -56.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -160.41 96.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 129' ' ' GLN . 8.7 p -117.2 176.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -179.56 -157.32 19.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.1 m -98.13 108.49 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.403 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -101.84 74.7 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.005 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 23.4 mm -141.89 166.92 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -114.65 83.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.36 138.2 21.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.48 103.39 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.11 118.12 4.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -154.82 117.47 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.73 155.7 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.417 HG22 ' N ' ' A' ' 3' ' ' SER . 4.5 m 57.71 -90.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.428 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.417 ' N ' HG22 ' A' ' 2' ' ' THR . 39.6 t -159.22 98.24 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 146' ' ' TYR . 1.5 m 47.07 84.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.7 p -125.43 39.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.422 ' N ' ' HA3' ' A' ' 145' ' ' GLY . 2.2 p -138.85 161.96 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.04 126.3 2.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.42 -153.9 6.72 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -117.85 124.29 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.57 102.44 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.22 106.79 10.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.81 177.38 7.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 178.69 154.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.44 174.12 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -105.99 121.81 44.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.75 -40.66 2.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.76 -52.82 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 66.0 83.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -160.4 134.1 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 -59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -69.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.75 -149.26 18.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.61 -91.16 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -168.22 153.5 6.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -136.7 162.47 33.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.15 148.68 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 128.34 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.59 ' O ' ' CD2' ' A' ' 28' ' ' TYR . 43.4 p90 -109.83 104.85 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 175.06 -166.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -179.09 161.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -171.96 111.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.07 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t70 174.4 -64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.01 84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.04 93.39 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.88 4.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tp -173.41 135.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.41 178.54 24.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.0 t -127.71 145.86 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.4 76.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.77 119.31 4.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.0 p -123.47 173.41 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -129.31 129.1 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -117.68 128.64 55.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.9 136.42 40.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 m -91.36 99.21 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -171.02 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 52.67 -170.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m 69.22 87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 177.94 80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.471 ' OG1' ' CZ ' ' A' ' 57' ' ' TYR . 52.2 m 62.06 138.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.1 -60.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -52.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.986 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.19 64.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.11 45.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -177.03 99.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CZ ' ' OG1' ' A' ' 51' ' ' THR . 2.2 m-85 -115.95 101.4 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 119.8 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -103.77 77.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.62 99.07 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.09 114.72 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -163.11 -156.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -177.83 135.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.2 129.41 9.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -90.28 87.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 67' ' ' ALA . 10.1 t -95.68 149.64 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 66' ' ' THR . . . 165.32 88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.71 162.56 15.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.96 36.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.7 86.23 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -177.41 165.72 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.91 -68.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.439 ' O ' ' N ' ' A' ' 75' ' ' ASP . 3.0 tp -161.92 110.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.44 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t0 -113.89 -54.54 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -169.89 88.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.007 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 61.35 170.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.0 t -40.63 156.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.4 tt -115.78 159.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 7.6 p90 -83.57 167.87 16.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 156.25 69.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.5 t -81.11 134.14 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.9 t -126.17 92.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.88 -173.51 30.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.65 137.94 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.45 113.14 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -173.51 167.13 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 122.73 93.62 1.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.44 127.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 178.02 110.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.96 116.33 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.405 ' O ' ' N ' ' A' ' 94' ' ' GLU . 7.3 m 74.04 -66.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.442 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 19.2 m 68.28 -65.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 95' ' ' TYR . 1.3 mt-10 164.82 63.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.581 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 0.6 OUTLIER 175.03 159.43 0.37 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.53 3.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.451 1.764 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' LYS . 4.1 t -122.9 -41.89 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 100' ' ' ASN . 16.9 m-85 55.08 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' THR . 18.0 mttm -65.25 76.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.8 t-20 -105.78 57.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -57.89 108.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.407 ' O ' ' CG2' ' A' ' 102' ' ' THR . 12.9 t -172.67 60.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.449 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 m -100.48 166.94 10.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -138.35 166.18 24.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.68 169.06 14.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.59 175.93 21.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.42 137.23 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 0.783 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -115.62 109.07 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -171.48 156.24 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.91 -119.05 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.19 140.32 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.31 138.31 9.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.86 86.02 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.57 92.63 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -136.51 174.72 10.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -103.74 111.15 65.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.39 -62.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.47 -73.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 22.4 t-20 -165.38 82.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.69 136.72 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.01 146.2 27.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -158.96 155.84 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -133.34 130.38 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.91 83.38 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.16 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 127' ' ' TYR . 37.2 p90 -130.63 39.95 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -158.71 125.76 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -133.36 136.02 45.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.26 141.96 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.4 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 2.7 mtt180 49.27 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 5.6 mt -98.91 67.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.2 mtp180 78.54 -50.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -34.97 -50.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.4 ' HB ' ' CG ' ' A' ' 131' ' ' ARG . 40.9 t -123.58 92.83 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.52 116.72 26.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 55.2 t -145.39 78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.95 -138.47 7.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 5.4 t -175.87 156.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.368 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -168.94 136.53 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.415 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.9 OUTLIER -169.73 -169.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -112.24 82.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.53 148.82 44.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.4 p -173.98 121.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.422 ' HA3' ' N ' ' A' ' 6' ' ' THR . . . -107.21 -123.64 5.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 4' ' ' THR . 4.7 m-85 -133.69 164.22 27.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 147' ' ' ARG . 5.5 ptt-85 -121.78 117.04 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 38.18 77.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.58 49.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.63 135.42 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -117.54 133.59 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 4.7 t -87.21 93.37 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.3 66.95 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.96 156.08 26.78 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.91 -172.02 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.0 118.93 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.24 113.19 14.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -153.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.86 -154.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.93 39.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.38 18.17 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.18 44.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' MET . 1.0 OUTLIER -178.2 -56.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' MET . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 79.64 -52.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' MET . 1.9 p30 -92.36 -52.79 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.15 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -168.52 98.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.77 174.36 18.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.49 -139.44 10.87 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -100.43 159.47 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.7 49.01 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.406 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 3.4 mt -174.59 -164.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER 170.7 -87.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -177.61 144.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.1 mmt85 -149.07 -175.7 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 30' ' ' TYR . 8.5 p90 -104.21 128.83 51.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.58 142.8 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -154.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.03 -42.75 11.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -126.46 55.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 m -82.27 119.62 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -129.54 108.4 10.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.92 135.79 9.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 36.9 t -102.38 136.38 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 2.4 tp -125.13 129.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.04 85.81 1.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.45 104.29 13.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -160.12 166.81 29.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.3 p -123.68 147.58 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -85.84 159.63 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.7 m -81.93 80.23 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.1 170.14 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mmtp 64.23 -101.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.1 p 83.77 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 59.99 115.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.5 m -94.93 -45.02 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.07 -164.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -100.4 -22.42 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.66 39.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.04 -43.11 1.68 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.98 101.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.86 142.22 57.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -129.7 109.36 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 166.48 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -97.31 131.8 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -171.67 84.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -80.4 151.2 29.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -164.65 57.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.28 136.34 12.96 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 5.5 tp -123.93 152.52 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.79 141.58 23.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.63 98.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.49 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -73.72 -51.18 9.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.3 Cg_endo -74.99 147.02 33.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.25 165.26 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -178.63 172.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 73' ' ' ILE . 2.9 ttt180 68.13 144.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.441 ' O ' ' CB ' ' A' ' 74' ' ' ASN . 1.0 OUTLIER 48.2 -175.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.4 t-20 77.58 151.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.13 -61.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 1.5 m95 -141.96 67.42 1.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 178.86 -173.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -128.42 128.01 43.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.6 mt -129.24 115.92 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -178.05 127.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.86 157.87 50.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.9 105.04 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 p -112.34 125.73 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.38 -162.5 11.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 7.7 p -150.17 96.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.51 135.2 28.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 3.3 t80 -91.79 148.58 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CE1' ' A' ' 87' ' ' TYR . . . -42.02 103.55 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 53.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -151.52 94.23 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 178.43 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.96 136.47 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.76 125.13 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -176.38 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.577 ' CD1' HG22 ' A' ' 97' ' ' THR . 1.7 p90 -79.78 159.38 71.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 63.59 5.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.577 HG22 ' CD1' ' A' ' 95' ' ' TYR . 2.1 t -178.71 36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.432 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -37.17 148.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 3.8 tptp -96.89 -65.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 16.1 t30 78.18 -57.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.17 147.82 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.4 m -153.65 140.86 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 t -122.11 78.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.28 116.12 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -112.75 149.4 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -98.46 157.36 20.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -124.88 110.2 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -117.61 136.68 53.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -161.59 137.79 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -149.72 -121.43 1.08 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -168.56 179.4 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.87 127.44 5.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tp -143.62 82.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -86.19 130.15 34.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -92.89 155.4 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -120.15 82.33 29.96 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.61 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 7.5 ttt 69.51 40.77 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -75.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -177.38 45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.84 143.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.31 121.37 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.23 164.35 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -179.51 106.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -147.53 176.79 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 86.7 p -177.75 166.1 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -114.55 113.56 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -97.11 153.32 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -128.13 139.77 52.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.63 160.31 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.03 74.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 6.9 mm -104.64 71.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.93 57.76 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.61 74.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 88.3 t -140.57 137.56 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.09 148.52 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -133.5 68.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -69.96 85.4 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 98.0 m -93.07 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -163.58 96.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.2 tp -146.71 -179.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -145.4 122.32 11.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.57 166.18 12.54 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.37 121.47 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -104.16 54.1 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.15 111.14 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 131.21 43.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 t -74.11 173.88 9.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -134.63 83.09 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 t -101.08 149.28 24.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 9.5 p -145.74 146.19 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 75.9 p -150.24 168.29 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.77 129.85 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.12 134.63 12.17 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 9' ' ' TYR . 9.1 p90 -176.3 126.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.13 174.39 14.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.0 106.98 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.2 p -78.47 153.25 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -131.85 86.86 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.46 114.97 28.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 39.09 40.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -127.06 1.82 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -166.67 60.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.9 mtm 61.2 95.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -156.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -122.49 84.05 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.45 166.88 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -116.42 110.35 2.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.83 103.98 1.5 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.34 152.87 30.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -179.25 107.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.71 159.89 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -130.55 163.92 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -143.84 108.92 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 144.56 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 30' ' ' TYR . 18.6 p90 -129.82 77.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -124.19 144.63 49.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -170.36 46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -160.64 36.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 53.26 81.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p 173.2 93.8 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.18 2.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 101.41 3.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.14 -161.76 17.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -126.13 152.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.432 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 1.8 tt -94.33 92.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.91 57.53 0.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p -108.79 148.56 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -151.19 147.6 27.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 m -104.26 167.77 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.431 ' CD1' ' N ' ' A' ' 45' ' ' TYR . 4.8 p90 -167.48 53.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -172.26 163.54 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.37 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.57 -165.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 174.61 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 t -133.63 135.01 43.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -179.99 143.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 43.4 p -110.34 -143.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.56 -61.68 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.33 59.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m 64.41 64.67 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.34 -57.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -109.67 109.02 19.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 15.8 m-85 -111.15 138.41 47.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.5 m120 64.29 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.1 pttp 46.2 48.11 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -143.94 123.7 13.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 178.01 95.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -90.4 88.15 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 107.41 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.83 -174.04 24.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.59 146.03 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -119.54 161.13 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.8 113.73 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.03 82.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.123 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.64 14.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.28 146.83 29.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -130.03 177.94 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -74.1 -176.31 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -66.63 138.02 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.92 -50.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.0 -57.31 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.411 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.3 OUTLIER 177.54 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 76' ' ' TRP . . . 77.36 -64.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -70.33 132.12 45.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -109.28 116.36 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.08 157.38 18.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.56 47.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.443 ' O ' ' CG1' ' A' ' 82' ' ' VAL . 10.0 p -88.18 79.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.93 76.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.11 114.0 3.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.2 t -101.97 89.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.8 155.21 25.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.404 ' CE1' ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -137.99 -158.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.13 -163.7 32.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -147.79 164.25 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 16.3 p90 -112.86 128.8 56.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.1 37.81 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 20.3 m -64.4 88.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 10.0 t -123.92 96.86 5.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -155.71 -44.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.23 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.531 ' CD2' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER -95.45 -179.68 0.99 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.531 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.0 -25.64 11.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.88 80.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -131.32 142.11 50.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 138.93 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -43.17 75.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 t70 51.7 73.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 15.4 t -156.56 41.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.0 t -153.07 136.12 15.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -159.34 -60.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -167.03 150.43 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 87' ' ' TYR . . . -132.41 -128.48 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -167.19 117.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -170.28 151.92 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.62 105.92 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.137 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.24 -150.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.312 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 48.43 44.06 28.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 tp -151.72 112.81 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 0.797 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -126.63 139.41 53.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.13 144.55 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -168.33 136.83 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.432 ' HD2' ' CG1' ' A' ' 121' ' ' VAL . 18.4 Cg_endo -74.98 -71.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 174.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.01 -87.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -171.06 34.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.432 ' CG1' ' HD2' ' A' ' 117' ' ' PRO . 6.1 p -99.59 144.87 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -164.69 107.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.409 HD12 ' CB ' ' A' ' 142' ' ' ALA . 1.0 OUTLIER -124.65 171.07 10.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.5 102.59 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.439 ' CD2' HG22 ' A' ' 141' ' ' ILE . 0.3 OUTLIER 173.41 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.46 -65.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -126.74 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.81 73.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.51 176.32 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.17 112.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -146.73 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 13.4 tt -91.6 46.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.97 25.7 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -112.06 -27.73 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 70.9 t -136.13 146.54 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.57 112.42 17.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 44.2 t -91.74 156.49 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -133.67 64.72 0.59 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.0 m -94.61 108.49 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -95.02 95.27 8.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.439 HG22 ' CD2' ' A' ' 125' ' ' PHE . 9.5 tp -90.77 150.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.409 ' CB ' HD12 ' A' ' 123' ' ' LEU . . . -160.66 118.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -90.16 102.16 2.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 73.4 t -92.73 123.58 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 168.17 -165.65 38.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -167.87 165.63 13.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.55 143.19 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 31' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' SER . 39.5 m 44.72 72.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER 159.94 44.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.2 t -165.47 39.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' CG1' ' HB2' ' A' ' 26' ' ' LEU . 29.1 t -93.15 136.14 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -80.01 170.9 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.34 148.81 20.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.0 145.99 17.26 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 174.2 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -160.31 -173.89 4.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -126.04 143.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -115.88 154.66 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.61 136.69 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.91 143.63 42.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -62.39 112.12 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.29 76.25 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.34 -50.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.41 96.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -151.2 -170.02 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -115.15 169.46 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.32 159.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 45' ' ' TYR . . . -129.91 -150.92 7.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 45' ' ' TYR . . . -160.17 117.8 0.79 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -145.25 106.98 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -146.91 98.81 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.474 ' HB2' ' CG1' ' A' ' 5' ' ' VAL . 0.5 OUTLIER -176.94 166.97 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 12.3 tptt -167.08 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 123.43 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -89.15 125.35 35.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.91 96.91 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 1' ' ' ALA . 8.3 tt0 -155.38 101.72 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -172.8 73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 173.39 -73.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 173.35 80.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.98 115.89 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.19 5.98 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -120.16 111.6 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.1 -126.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.434 HG23 ' CA ' ' A' ' 68' ' ' GLY . 7.4 m -80.4 -152.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.522 ' O ' ' CG1' ' A' ' 40' ' ' ILE . 1.4 tt 177.36 39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 175.95 93.46 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -143.31 174.41 10.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -141.73 168.19 20.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -88.08 152.59 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.616 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.7 p90 -106.82 98.62 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.2 m -104.9 88.74 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 mm-40 -80.59 175.83 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 3.6 tmtt? 86.05 170.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.42 137.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.38 -40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.09 127.84 5.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.08 -57.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -156.72 -57.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -102.87 58.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.86 69.6 0.38 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -106.49 95.76 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' CG ' ' O ' ' A' ' 57' ' ' TYR . 26.7 p90 -118.72 128.55 54.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -40.47 155.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 61' ' ' GLN . 1.9 tttt -70.8 67.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.96 -71.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 tt0 -165.01 -178.56 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.32 160.55 16.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.63 155.81 17.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 139.75 4.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -125.06 141.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.345 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -103.72 112.73 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.39 117.58 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.542 ' N ' ' CD ' ' A' ' 69' ' ' PRO . . . -47.59 -48.25 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.2 Cg_endo -74.99 136.01 19.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 -168.59 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -170.02 175.22 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 51.23 79.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 7.2 tp -161.69 158.01 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.11 -46.87 79.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -118.76 -87.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -155.49 95.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.461 ' HB2' ' CG ' ' A' ' 114' ' ' GLN . . . -167.06 -161.64 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.494 ' O ' ' CG2' ' A' ' 79' ' ' ILE . 53.9 p 57.03 -164.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.494 ' CG2' ' O ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -168.4 40.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -81.08 121.82 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.53 51.65 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.34 138.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.24 72.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 104.72 1.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.5 p -168.9 112.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.91 -149.21 5.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -151.67 148.51 28.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 154.47 79.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -80.16 -171.37 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -109.38 57.83 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 92' ' ' THR . 19.2 mm-40 -132.41 147.36 52.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER 167.98 -44.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.0 m 67.37 -74.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -123.09 -42.83 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -138.4 162.87 50.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.7 4.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 m -157.97 -44.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 100' ' ' ASN . 1.6 t80 -60.11 130.85 48.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt 64.93 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TYR . 46.3 t30 44.15 54.3 6.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -45.86 7.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -164.37 162.8 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 p -165.84 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.24 89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -179.47 49.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.61 139.15 10.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -165.67 142.02 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.4 p -116.01 144.91 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -177.15 125.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -178.26 -150.9 8.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -132.97 146.31 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.475 ' HA3' ' CG1' ' A' ' 79' ' ' ILE . . . -131.41 -170.84 12.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.3 mp -145.16 178.87 7.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -154.79 120.08 5.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 114' ' ' GLN . 2.6 t80 162.13 133.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.407 ' CB ' ' O ' ' A' ' 122' ' ' ALA . 1.6 m-20 164.55 81.53 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 122.17 7.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -82.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 -36.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.34 -55.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.533 ' O ' ' CB ' ' A' ' 122' ' ' ALA . 70.9 t -130.78 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.533 ' CB ' ' O ' ' A' ' 121' ' ' VAL . . . 161.23 86.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.478 ' CB ' ' N ' ' A' ' 115' ' ' PHE . 1.0 OUTLIER -156.9 84.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 1.7 m-20 -162.8 88.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -158.08 149.17 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 48.6 p -161.84 -165.27 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -141.65 115.85 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.53 170.85 13.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.8 163.79 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 131' ' ' ARG . 33.5 p -137.9 76.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 130' ' ' SER . 0.2 OUTLIER 161.76 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.4 pt -104.11 88.5 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 132' ' ' ILE . 5.6 mtm180 38.63 33.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.77 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 56.2 t -106.54 124.9 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -114.8 89.03 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.484 ' O ' ' CG2' ' A' ' 137' ' ' VAL . 2.9 m -89.64 109.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.27 102.66 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.8 t -118.17 165.85 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . 0.536 ' CG ' ' O ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -143.83 109.16 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 107.986 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 124' ' ' ASP . 0.1 OUTLIER -86.68 140.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -87.11 96.33 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . 0.44 ' O ' ' CB ' ' A' ' 122' ' ' ALA . . . -49.1 138.63 15.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.1 p -178.49 84.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 121' ' ' VAL . . . -114.1 119.69 4.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -165.51 43.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 175.12 116.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.462 ' HA ' ' CG2' ' A' ' 5' ' ' VAL . 44.3 p90 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -140.03 151.48 45.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -158.32 112.04 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 43.0 p -82.36 170.45 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -103.17 83.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -91.6 128.02 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.16 106.59 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.44 173.1 21.28 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.66 137.82 45.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -122.58 150.11 43.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -103.08 112.06 24.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -84.72 112.56 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -107.47 152.0 24.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.18 -176.3 4.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.55 -71.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.24 69.89 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.5 48.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.69 51.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 176.08 146.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.94 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 119.39 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.17 44.44 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -81.52 162.66 43.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 23' ' ' GLY . 69.0 m-85 -160.02 145.03 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -132.96 129.8 38.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -147.74 166.2 28.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER 34.29 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.551 ' CG ' ' O ' ' A' ' 28' ' ' TYR . 76.5 t80 -133.2 39.68 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.448 ' CA ' HG23 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -176.77 98.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -154.26 120.31 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -171.58 166.79 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.53 -177.72 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -116.93 61.77 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 178.33 -54.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.96 118.75 64.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.15 32.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.36 152.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.82 110.36 2.0 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -149.8 77.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.448 HG23 ' CA ' ' A' ' 29' ' ' ARG . 4.3 tp -174.27 165.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 65.39 39.38 95.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.78 39.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 27' ' ' LYS . 29.9 m-85 -131.48 104.42 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.487 ' O ' ' CG2' ' A' ' 44' ' ' THR . 13.6 t -146.8 90.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -145.41 145.89 31.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.453 HG23 ' CB ' ' A' ' 61' ' ' GLN . 81.6 p -83.88 136.47 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.383 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 tm-20 -113.33 82.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 169.05 109.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 5.0 p 169.95 113.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.056 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.518 ' HD2' ' CZ ' ' A' ' 57' ' ' TYR . 35.8 ttt180 178.35 102.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.7 p -38.87 -46.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 67.18 54.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -157.05 34.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.57 20.65 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.2 -60.71 1.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 167.33 178.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.561 ' CD1' HG23 ' A' ' 93' ' ' THR . 4.8 m-85 -106.86 118.88 37.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' SER . 55.7 m-20 -79.19 154.38 29.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.97 60.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -45.4 -62.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.453 ' CB ' HG23 ' A' ' 46' ' ' THR . 0.1 OUTLIER -82.7 -170.69 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 179.73 -165.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 49.1 p90 -117.43 140.54 49.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.49 -118.92 1.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 tp -153.42 123.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -108.69 133.66 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.38 111.02 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.73 113.69 4.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 63.14 5.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.49 97.47 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -145.94 94.05 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.56 152.38 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -110.74 -62.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.7 -57.12 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.75 -56.97 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.15 69.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.97 71.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.8 p -76.66 90.98 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.1 pt -137.56 107.34 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 48.4 m-85 -163.62 174.25 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.32 177.26 0.79 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.9 147.73 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.1 p -133.56 144.65 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.42 123.06 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -109.05 98.05 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.14 164.81 54.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.52 167.25 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.07 71.7 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.73 79.15 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.439 ' CE1' ' ND2' ' A' ' 100' ' ' ASN . 26.4 p90 -105.14 178.62 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.2 OUTLIER 73.55 -57.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.3 t -58.64 84.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.561 HG23 ' CD1' ' A' ' 57' ' ' TYR . 30.8 m -87.63 -41.12 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 93' ' ' THR . 0.3 OUTLIER 159.63 43.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.537 ' O ' ' CE1' ' A' ' 98' ' ' TYR . 5.6 m-85 -105.93 170.79 5.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.42 3.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 m -157.66 -51.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 27.5 m-85 47.12 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' TYR . 1.2 pttm 39.07 88.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' ND2' ' CE1' ' A' ' 90' ' ' PHE . 10.6 t30 -69.41 -54.0 16.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -177.1 89.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -55.25 152.88 7.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.7 -63.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 52.27 92.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.31 39.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.82 79.24 0.89 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -79.97 137.33 36.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 107.45 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.055 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.55 115.81 20.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -141.96 -150.77 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.84 133.11 19.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.28 151.28 28.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.405 HD22 ' CE1' ' A' ' 115' ' ' PHE . 3.5 tt -147.48 101.93 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.12 123.37 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.405 ' CE1' HD22 ' A' ' 113' ' ' LEU . 46.2 m-85 -86.38 167.59 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.2 122.49 69.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.75 38.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.2 ttt -151.53 -65.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -109.73 -45.42 3.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 179.3 71.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.3 p -143.27 108.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.73 70.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 128.83 42.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . 0.477 ' O ' ' CD2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -138.28 76.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.522 ' CE1' ' HB ' ' A' ' 141' ' ' ILE . 1.2 m-85 -164.27 174.3 11.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t 179.52 -81.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.15 169.63 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.0 120.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -87.14 139.12 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.96 105.74 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.956 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.28 89.97 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 30.3 mm -79.92 86.5 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.98 54.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.61 78.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 8.2 p -156.12 140.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 101.55 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 96.1 t -121.98 115.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -91.13 145.32 17.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 17.5 m -134.22 120.79 20.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -155.09 112.07 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.522 ' HB ' ' CE1' ' A' ' 125' ' ' PHE . 2.7 mp -129.08 150.07 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.6 95.89 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.44 146.3 18.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.4 p -171.38 155.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.82 -161.41 29.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 165.25 17.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 3.7 ptp180 -90.41 148.0 23.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 84.2 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.9 p 43.59 -146.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.63 74.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -97.48 130.47 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.0 t -106.23 103.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -112.63 114.01 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.9 132.34 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.89 150.49 21.41 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -91.53 136.91 32.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.71 117.29 33.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -171.16 125.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -168.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 152.69 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.405 ' HB2' ' CG1' ' A' ' 137' ' ' VAL . . . -172.74 146.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.7 102.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.0 -33.89 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.76 74.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.9 mtt 71.11 97.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -149.89 135.11 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.05 98.62 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 92.24 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.19 108.84 3.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.88 168.78 23.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -130.31 135.04 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.71 134.97 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.21 56.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -66.42 138.94 57.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.62 118.49 30.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -85.92 161.64 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -108.24 140.23 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -80.44 154.69 27.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 136.54 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.27 -38.74 91.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 176.46 39.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.66 127.64 16.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.62 71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.79 117.44 3.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -138.12 153.77 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -177.57 179.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -111.71 -134.98 6.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.16 141.43 15.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.37 114.89 29.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -120.31 -179.94 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.84 97.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -82.5 148.42 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.36 -179.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.9 112.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.422 ' C ' ' CG ' ' A' ' 50' ' ' ARG . 4.6 t -176.45 -62.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' CG ' ' C ' ' A' ' 49' ' ' SER . 0.0 OUTLIER 38.14 32.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.421 ' N ' ' O ' ' A' ' 49' ' ' SER . 9.6 t -152.99 70.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.416 ' CB ' HG23 ' A' ' 93' ' ' THR . . . -80.95 -84.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 54' ' ' SER . 10.7 t -147.77 26.91 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 84.44 64.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.37 -65.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -169.78 -74.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -148.11 -176.05 5.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -118.53 130.4 55.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -105.55 118.52 36.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -177.83 95.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -143.0 121.34 12.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.545 ' CE1' ' HB2' ' A' ' 87' ' ' TYR . 10.6 m-85 -165.48 165.03 19.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -146.75 156.15 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.71 107.39 2.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.5 pt -151.68 41.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -158.98 151.34 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -178.27 86.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.5 126.48 0.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 132.92 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.91 166.89 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -57.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 8.4 mt 67.5 56.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -74.05 -156.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 76' ' ' TRP . 0.3 OUTLIER -90.96 -33.22 15.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -152.85 47.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 108.004 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.98 122.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.23 -62.84 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 tt -95.34 41.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 8.8 p90 -80.48 149.44 30.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 42.13 83.18 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.566 HG22 ' CD2' ' A' ' 109' ' ' TYR . 4.4 m -105.82 168.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.426 HG23 ' CE1' ' A' ' 107' ' ' PHE . 88.8 t -110.36 123.38 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.48 173.7 30.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . 0.411 ' O ' ' CG1' ' A' ' 85' ' ' VAL . 56.0 t -137.96 64.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 161.22 17.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.545 ' HB2' ' CE1' ' A' ' 62' ' ' TYR . 7.9 m-85 -113.95 132.87 55.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.76 136.61 13.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.95 156.04 33.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 134.09 35.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -161.22 162.46 31.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.507 ' O ' ' C ' ' A' ' 93' ' ' THR . 2.4 m 81.63 151.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.507 ' C ' ' O ' ' A' ' 92' ' ' THR . 10.0 t 29.1 55.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -130.29 -44.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -147.67 168.73 10.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.73 10.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 t -146.12 34.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 58.86 163.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.72 -61.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 52.2 t30 62.63 59.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.08 166.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.0 p -88.72 -171.2 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.391 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -151.05 121.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.966 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.26 -66.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 16.6 p90 -175.33 134.07 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.9 157.6 20.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . 0.426 ' CE1' HG23 ' A' ' 83' ' ' VAL . 1.6 t80 -179.06 120.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.39 150.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.566 ' CD2' HG22 ' A' ' 82' ' ' VAL . 1.5 t80 -170.5 -147.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -140.85 -94.24 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.092 . . . . 0.0 111.035 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . 177.61 162.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 109.326 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -119.91 125.15 6.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 124.0 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -86.64 114.13 23.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 122' ' ' ALA . 43.8 p90 -100.57 -172.69 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -132.48 106.45 13.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.72 32.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.1 ttt -106.57 -50.29 3.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.94 -47.51 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 169.74 83.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.3 m -145.13 166.55 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . . . -140.13 131.06 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 23.6 mt -133.06 88.66 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -142.96 104.97 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' A' ' 141' ' ' ILE . 35.7 p90 -171.7 147.69 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 59.3 p -173.05 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.439 ' N ' ' OG ' ' A' ' 126' ' ' SER . 38.1 p90 -176.26 158.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -138.36 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.464 ' HB3' ' CG1' ' A' ' 135' ' ' VAL . 15.8 mm-40 -129.74 149.61 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 94.5 p -171.84 96.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -177.86 -155.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.8 tt -148.65 93.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 81.99 -44.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' ASP . 14.8 m -82.46 8.46 11.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 129' ' ' GLN . 21.6 t -38.72 98.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' SER . 14.0 t70 -150.67 52.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . 0.405 ' CG1' ' HB2' ' A' ' 14' ' ' ALA . 15.1 m -115.31 137.05 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -124.02 177.5 16.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 5.0 t -172.73 163.5 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 0.736 . . . . 0.0 110.449 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -147.06 72.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 125' ' ' PHE . 14.4 tt -85.2 155.76 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.01 73.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -43.53 115.77 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.06 110.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -179.81 -132.88 1.88 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -177.72 167.36 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 147.74 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.8 m -74.59 139.89 43.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.6 101.47 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -116.12 110.48 18.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 57.8 t -93.71 72.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.9 p -97.3 67.87 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.51 165.01 23.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.36 -95.42 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.78 126.49 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.91 141.67 35.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.4 157.71 16.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -118.51 114.38 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.22 111.41 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -119.61 -165.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -117.71 -58.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.87 15.41 5.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 12.9 mt-30 -90.0 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 63.06 70.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -140.08 121.2 14.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -50.8 135.5 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 ttp -150.16 152.03 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.28 148.95 6.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.94 -91.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -159.3 114.85 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -103.55 103.49 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 pp -117.3 114.54 23.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -65.66 143.18 57.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.408 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 11.2 t80 -97.94 116.31 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 1.0 OUTLIER -98.48 127.87 44.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -135.72 93.76 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.74 146.76 27.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -168.9 59.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.56 84.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -176.46 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.63 123.36 7.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.43 4.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.35 -177.17 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . -163.37 37.21 0.32 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.8 p 177.53 135.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.469 ' O ' ' CG2' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -175.31 42.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.03 140.64 3.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.41 141.72 37.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.03 136.22 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 t -166.69 136.98 3.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -154.49 158.23 39.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 p -85.73 172.3 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -151.7 177.39 10.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.1 OUTLIER 65.1 -91.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER 81.42 160.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 70.1 134.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 p -77.66 -17.82 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 40.57 34.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.82 -51.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.6 p -92.72 -0.62 57.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.63 75.73 0.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -144.38 129.45 18.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.465 ' HB3' ' CG2' ' A' ' 93' ' ' THR . 0.3 OUTLIER -89.96 92.87 9.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -92.87 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.07 57.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.8 109.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -150.15 98.54 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -98.31 150.9 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -139.7 71.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.72 86.54 0.82 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -137.0 70.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 8.8 t -161.58 40.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -51.48 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 119.88 -175.39 15.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.96 41.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.75 -174.9 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.54 117.55 29.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.32 151.7 27.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 2.3 pp -46.61 123.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.73 -44.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.55 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 30.5 m-20 -87.29 -67.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -170.73 69.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.22 171.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.23 115.91 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.32 57.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 80' ' ' TYR . 79.6 t80 -173.7 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -154.21 36.4 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.2 117.54 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 94.3 t -142.77 150.02 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.79 129.69 1.98 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 m -95.43 103.64 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.77 166.56 12.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.44 97.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.53 -162.76 13.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -178.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.14 95.32 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.99 -166.65 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 30.2 p -124.55 -150.15 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.465 ' CG2' ' HB3' ' A' ' 57' ' ' TYR . 2.1 p -152.3 121.62 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.53 -25.8 24.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . 0.507 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER 172.98 173.49 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . 0.507 ' HD2' ' CG ' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -75.04 55.94 4.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.8 t -134.07 -51.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.404 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.51 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -167.68 57.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 31.51 -144.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.455 ' N ' ' CG ' ' A' ' 99' ' ' LYS . 56.8 t30 -111.01 49.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 56.65 171.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -170.3 147.5 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.3 p -177.22 74.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.73 140.97 16.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -120.46 171.8 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.76 149.86 21.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -119.8 138.43 53.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.23 163.32 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -162.34 117.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.17 -149.13 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -164.4 175.38 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.14 69.23 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.38 120.41 25.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.47 112.29 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -168.17 120.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 172.31 136.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.66 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.9 mtt -128.1 160.98 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.3 pt-20 -44.27 -42.17 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 6.4 m-20 167.22 42.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.96 155.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.18 171.0 14.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 pp -123.41 149.36 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.96 114.76 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.47 131.63 34.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 90.3 p -119.08 92.14 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -104.73 86.78 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -81.19 157.04 25.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -158.96 74.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -82.06 -171.7 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.25 48.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.51 92.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.23 41.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.05 75.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.62 175.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -116.31 102.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.84 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.36 155.28 16.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.4 t -169.25 139.59 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.4 120.72 21.3 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.19 132.58 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -115.47 87.99 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.79 138.84 22.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.8 t -147.47 121.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -166.02 -162.16 16.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.05 136.66 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.06 141.58 34.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 m 68.07 -72.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.42 69.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.5 m -143.06 -169.71 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.8 m -94.97 140.49 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.411 ' O ' ' CG2' ' A' ' 6' ' ' THR . 13.4 t -151.56 111.38 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.16 -163.41 34.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.6 -160.83 9.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . 0.451 ' CB ' HD11 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -101.13 -161.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' MET . . . -125.51 87.54 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -118.42 122.17 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -179.43 168.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.42 116.56 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.01 118.36 36.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 137.61 48.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.17 56.47 12.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.08 -54.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.5 ttm 59.11 68.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -110.58 106.67 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -71.05 73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 29.56 76.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.42 33.53 6.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.65 157.39 22.56 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 p90 -159.35 144.96 16.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.31 124.99 50.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -137.27 76.55 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -133.4 -168.23 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 15.4 p90 -137.41 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -135.18 -166.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.36 115.61 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -162.47 58.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 168.61 51.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -178.55 51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 43.14 76.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.97 167.18 13.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -127.4 177.94 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 58.04 33.42 69.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -114.08 113.03 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 tt -171.41 144.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.66 65.82 0.47 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 151.55 21.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.89 132.36 53.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 63' ' ' TYR . 1.9 m -118.46 74.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -82.82 150.2 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' GLN . 87.7 m -110.05 167.55 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -177.88 119.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 156.38 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -98.08 153.14 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -130.65 111.77 12.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' ARG . 18.7 p 36.5 -95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 50' ' ' ARG . . . 71.99 63.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.32 -56.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -63.46 -45.74 89.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.34 61.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.94 131.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.534 ' CG ' ' O ' ' A' ' 57' ' ' TYR . 18.4 p90 -150.32 121.93 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.37 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -163.72 -178.46 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.31 91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -161.84 108.78 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -179.36 39.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CG ' ' HB2' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -125.06 158.23 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.38 85.71 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.53 138.14 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -156.2 129.59 8.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.68 142.55 28.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.99 125.8 3.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.46 4.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -141.61 115.48 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.85 126.96 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 65.41 167.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.495 ' O ' ' CG2' ' A' ' 73' ' ' ILE . 0.1 OUTLIER -157.54 100.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.54 -59.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.1 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.447 ' O ' ' CB ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -150.81 62.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 76' ' ' TRP . . . 80.06 -68.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.76 170.83 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -132.4 164.1 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -81.52 144.37 31.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.23 80.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.1 m -108.3 162.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.78 101.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 89.25 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.4 m -95.62 79.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.63 148.9 35.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 2.1 m-30 -116.65 105.62 12.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.67 67.84 0.28 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -88.06 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 7.8 p90 -94.88 133.01 39.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.412 ' HA ' ' CB ' ' A' ' 100' ' ' ASN . 0.8 OUTLIER -93.65 171.5 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -168.83 145.5 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 83.8 m 65.09 -77.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 93' ' ' THR . 12.9 tt0 88.86 -22.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -81.4 166.49 37.89 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.44 3.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.1 m -122.55 -61.51 1.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -146.12 16.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.1 OUTLIER 39.51 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 101' ' ' ASP . 8.9 p-10 -79.25 -51.24 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 100' ' ' ASN . 7.7 m-20 157.24 46.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.491 ' O ' ' CG2' ' A' ' 102' ' ' THR . 1.3 t 39.53 35.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.36 144.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.22 173.79 10.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.13 -169.26 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.22 116.06 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.84 97.49 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.14 126.93 55.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.78 91.65 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -106.15 -142.8 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -134.61 157.82 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.75 131.9 10.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.01 120.96 10.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.64 118.37 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -176.21 98.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 177.38 75.29 0.11 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.18 -62.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -67.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.6 p30 177.37 53.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -139.99 173.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -119.6 145.25 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -132.71 133.64 43.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.26 156.17 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.91 94.34 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.5 p -49.74 117.06 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.51 103.66 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -132.15 -175.64 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.27 130.34 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.6 p -85.12 -170.46 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -179.29 49.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 12.8 mm -120.77 82.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.403 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 77.68 39.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.51 97.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 30.3 t 68.08 166.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 2.0 t0 -170.91 -48.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.7 p -176.54 137.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -103.28 -157.85 25.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 2.3 p -155.32 112.43 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 110.366 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.37 103.33 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.451 HD11 ' CB ' ' A' ' 9' ' ' TYR . 8.4 tp -153.7 159.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -109.71 115.43 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -98.94 120.76 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.4 p -158.02 127.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.26 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -113.24 169.63 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -175.74 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.14 150.69 24.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -52.12 -35.88 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.01 83.4 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -116.51 142.65 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p -145.97 128.6 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -146.18 126.55 14.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.78 88.46 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.88 -160.53 11.01 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -145.5 135.97 24.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.11 170.5 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -162.64 98.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.6 152.52 35.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -94.04 179.82 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.14 83.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 69.01 -72.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.18 79.43 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -145.64 -51.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ttt 59.18 88.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 177.33 95.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.8 -161.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.23 -56.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 -123.63 7.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 24' ' ' PHE . . . -176.85 -105.06 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 93.8 m-85 -161.97 127.5 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.85 83.42 2.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -92.18 92.88 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 142.1 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -152.3 108.9 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.441 ' HB2' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -135.38 -157.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -126.81 153.38 45.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.5 116.73 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 5.5 tt0 -140.08 53.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 m-20 170.16 41.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 11.7 m-20 82.04 -50.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 160.61 96.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -64.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.4 pp -177.61 91.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.463 ' HA3' ' CG ' ' A' ' 69' ' ' PRO . . . -63.68 118.66 13.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.8 t -99.03 59.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.441 ' CG2' ' HB2' ' A' ' 29' ' ' ARG . 7.7 pt -80.07 157.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.32 67.62 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 p -89.09 176.23 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 11.9 m-85 -125.05 107.96 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 p -85.32 103.44 14.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -82.77 131.85 35.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.5 p -123.52 111.34 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -112.26 139.58 47.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ARG . 28.8 tttt -118.52 111.2 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m 68.79 -65.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER 63.81 108.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p 39.5 86.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.442 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.08 -68.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -161.98 84.09 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.06 54.48 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 57' ' ' TYR . . . -151.61 -59.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' C ' ' CG ' ' A' ' 57' ' ' TYR . 6.2 m-20 69.51 -64.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.428 ' CG ' ' C ' ' A' ' 56' ' ' ASP . 6.6 m-85 68.3 -62.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.7 t-20 -102.66 129.38 49.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -137.96 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -56.35 162.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.52 145.77 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.23 137.24 38.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 16.6 t80 -162.15 160.49 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.424 ' O ' ' CE1' ' A' ' 63' ' ' TYR . . . -162.04 -143.65 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 tp -120.37 131.91 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 0.73 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' THR . . . . . 0.469 ' CB ' HG21 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -123.78 141.45 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.03 138.43 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.59 80.92 1.45 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.463 ' CG ' ' HA3' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -75.04 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -152.0 139.41 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -95.89 175.16 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 130.1 8.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.68 142.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 171.69 -55.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.08 -47.34 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -136.21 87.93 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 107.993 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 76' ' ' TRP . . . -39.94 -66.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p 60.74 57.33 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.468 HG23 ' CD2' ' A' ' 113' ' ' LEU . 35.2 mt -79.87 158.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.435 ' CD2' ' HB1' ' A' ' 111' ' ' ALA . 18.4 m-85 -130.34 112.03 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . 0.406 ' N ' HD22 ' A' ' 113' ' ' LEU . . . -37.38 -87.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.469 HG21 ' CB ' ' A' ' 66' ' ' THR . 6.2 p -173.48 171.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 6.2 m -144.46 104.24 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.52 -164.01 12.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 p -146.33 135.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.71 153.49 47.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -105.93 137.54 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.6 84.61 1.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.5 61.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.16 150.35 26.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.65 174.26 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.45 ' OG1' ' ND2' ' A' ' 100' ' ' ASN . 19.2 m -152.77 140.08 19.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.417 ' O ' ' HB3' ' A' ' 94' ' ' GLU . 54.0 m 65.69 -95.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . 0.417 ' HB3' ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER 179.82 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -157.81 161.12 29.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.64 18.54 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 m -70.86 -34.91 72.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 42.5 m-85 -116.66 101.21 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -141.78 153.16 44.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' ND2' ' OG1' ' A' ' 92' ' ' THR . 8.7 m-80 -94.94 60.19 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -73.38 130.6 40.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.21 151.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 99.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.1 110.12 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -111.91 90.22 3.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.84 79.75 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.75 125.93 25.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.0 p -106.08 127.89 53.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 109' ' ' TYR . 3.7 p90 -140.28 143.79 36.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -179.09 119.96 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.435 ' HB1' ' CD2' ' A' ' 80' ' ' TYR . . . -116.12 148.83 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 79' ' ' ILE . . . 111.01 131.9 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.468 ' CD2' HG23 ' A' ' 79' ' ' ILE . 0.4 OUTLIER 177.78 40.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.08 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 115' ' ' PHE . 52.6 p90 -85.32 109.12 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 115' ' ' PHE . 3.4 m-20 174.08 65.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -51.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 178.2 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.99 -85.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 42.7 t30 178.01 57.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.8 p -131.34 153.69 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.06 156.46 17.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 pp -175.78 141.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 35.6 m-20 -88.75 137.89 31.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.74 90.78 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.1 p -159.44 155.2 26.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.39 128.41 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -107.76 85.63 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -105.14 125.6 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -87.29 177.17 7.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . 0.403 ' CD ' ' HB ' ' A' ' 135' ' ' VAL . 4.1 mtp180 51.69 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 6.4 tt -91.33 43.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 75.34 5.76 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.6 t -84.24 -41.05 17.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 136' ' ' ASP . 84.0 t -133.2 157.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 135' ' ' VAL . 2.3 t70 76.02 166.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 t -137.72 -175.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -98.63 154.01 19.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.4 t -103.48 142.06 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.96 96.18 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 4.6 tp -91.29 137.56 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -168.48 122.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -149.51 -164.29 11.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.054 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.0 p -101.55 153.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -133.18 106.08 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 123.65 50.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 136.01 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' THR . . . . . 0.446 ' HB ' ' CB ' ' A' ' 148' ' ' PHE . 22.3 m 62.78 -97.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.77 55.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -131.74 159.69 37.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.53 141.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -117.28 100.12 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.429 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -116.79 133.54 10.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.19 171.55 31.49 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 68.5 m-85 -129.51 127.13 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.986 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -119.81 132.95 55.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 12' ' ' SER . 15.6 pt20 -171.06 -166.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 11' ' ' GLN . 1.0 OUTLIER 85.62 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.8 114.17 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.11 78.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.41 ' HG3' ' CG2' ' A' ' 135' ' ' VAL . 44.4 tt0 74.75 -60.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.04 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 176.04 50.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.262 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.03 73.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . 29.5 t-20 -172.61 97.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -108.51 54.84 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 178.53 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.22 -72.53 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.47 -170.45 43.51 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -143.94 132.74 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.93 127.26 55.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -151.58 102.57 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.47 -167.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -126.59 175.56 7.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 126.18 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -99.04 61.72 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.28 61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -173.32 56.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t0 176.23 54.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.58 89.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.0 p 179.98 105.99 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.481 ' CD2' ' C ' ' A' ' 37' ' ' LEU . 0.0 OUTLIER -84.15 153.2 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.81 163.33 14.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -151.02 64.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -135.36 -174.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.66 -98.37 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.1 p 175.7 -179.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CG ' ' O ' ' A' ' 43' ' ' PHE . 5.6 p90 -130.64 39.92 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 177.75 146.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 64.4 t80 -178.29 42.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.98 161.06 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -79.32 -155.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -77.14 -64.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.39 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -152.94 139.1 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 t -159.03 61.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.77 84.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.0 105.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.4 m 64.65 39.82 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -80.28 -45.35 8.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . 0.519 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 30.7 t0 40.43 68.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER 176.23 -78.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 2.8 t30 81.75 -66.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 40.31 80.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -56.7 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 175.53 141.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.44 129.13 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -102.42 85.44 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.86 119.81 5.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.19 89.14 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.6 m -95.47 75.36 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.94 -70.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.03 -160.15 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.77 146.52 27.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 40.2 t80 -176.68 138.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.71 86.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 78.2 mt 46.7 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -58.94 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -119.58 -56.54 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 76' ' ' TRP . 10.9 t90 176.72 53.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.78 -172.5 2.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -170.56 91.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -125.31 128.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 71' ' ' TYR . 1.3 t80 -177.25 166.79 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.58 163.18 54.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.09 147.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.94 135.46 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.85 143.05 13.63 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.17 121.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.41 151.62 26.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -108.59 134.98 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.31 121.65 12.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 177.33 84.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' GLN . 2.5 p90 -164.69 -169.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.9 pt20 38.0 -148.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.417 ' N ' ' HG3' ' A' ' 91' ' ' GLN . 0.3 OUTLIER 74.03 -56.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' THR . . . . . 0.417 ' N ' HG21 ' A' ' 92' ' ' THR . 3.2 t -69.31 59.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -134.63 -46.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -148.78 167.07 13.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 57.91 4.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.6 p -133.67 -45.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 54.33 98.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -63.13 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 42.95 49.7 5.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.81 146.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.4 t -83.21 58.99 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.447 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -136.64 69.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.97 99.17 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.28 123.84 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.51 132.63 3.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.18 104.07 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.6 p -84.83 170.58 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.68 119.94 7.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -130.34 155.17 20.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.18 119.43 12.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CD2' ' A' ' 123' ' ' LEU . . . -105.78 94.94 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.1 tp -102.26 142.27 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -92.26 68.81 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.2 96.06 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 19.7 p-10 -140.05 147.23 49.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 118' ' ' MET . 18.4 Cg_endo -74.93 1.42 7.72 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' MET . . . . . 0.512 ' CB ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 82.53 49.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -115.99 -64.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -179.65 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 m -130.53 151.74 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.57 44.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.452 ' CD2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -179.41 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.1 -37.36 81.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.13 93.85 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 134.99 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.91 162.64 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -94.03 128.08 40.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' GLN . . . . . 0.447 ' NE2' ' HH ' ' A' ' 45' ' ' TYR . 5.3 mp0 -79.09 -164.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.15 -162.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 177.3 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.9 mt -137.79 154.05 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 132' ' ' ILE . 0.6 OUTLIER -35.83 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -83.45 55.76 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' VAL . . . . . 0.41 ' CG2' ' HG3' ' A' ' 15' ' ' GLN . 13.9 t -152.72 126.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.54 130.34 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.3 109.46 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -74.78 119.68 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 43.2 m -110.25 81.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.383 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.41 90.7 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ILE . . . . . 0.439 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.5 OUTLIER -160.76 -167.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ALA . . . . . 0.439 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -136.32 167.57 21.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.65 -163.53 36.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.3 p -169.67 78.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -118.55 141.58 16.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 31.2 p90 -117.18 72.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.78 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 146' ' ' TYR . 0.0 OUTLIER 164.31 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' PHE . . . . . 0.446 ' CB ' ' HB ' ' A' ' 2' ' ' THR . 11.9 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t 177.61 71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.707 HG21 ' O ' ' A' ' 146' ' ' TYR . 6.2 t -163.24 161.93 25.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.4 p -101.0 114.09 39.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -115.54 158.06 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.94 166.47 34.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.42 -132.5 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.62 151.83 47.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.56 107.9 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -84.15 146.77 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.45 132.65 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -143.67 88.65 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 135' ' ' VAL . . . -121.4 160.51 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 78.17 17.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 72.6 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 43.95 72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.05 46.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.59 148.95 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.16 172.34 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.12 -175.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.21 -63.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.62 -179.11 29.37 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -116.65 134.68 54.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.5 112.14 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.34 124.58 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 128.93 49.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 3.9 p90 -155.03 121.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.34 -176.22 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -167.3 91.65 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -153.75 112.28 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.06 120.57 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 52.83 81.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 176.52 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -170.59 129.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 110.05 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.87 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -174.6 127.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.03 -166.79 11.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 39' ' ' VAL . 7.7 p -125.98 99.86 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.754 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.951 HD12 ' O ' ' A' ' 68' ' ' GLY . 40.5 mt -87.22 109.42 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.33 130.63 9.97 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.11 105.97 5.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -112.0 105.45 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -136.3 159.01 43.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.442 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -111.96 160.98 16.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -115.62 111.71 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -81.57 80.45 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.45 145.3 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 58' ' ' ASN . 70.3 m 61.3 -178.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.43 0.157 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 13.6 t30 -174.78 159.73 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -133.51 172.54 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.43 157.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -101.83 176.25 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -94.14 143.51 26.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -131.99 126.88 35.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.3 137.1 9.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -122.12 105.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 83' ' ' VAL . 16.2 m -95.9 151.3 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.54 155.78 32.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.951 ' O ' HD12 ' A' ' 40' ' ' ILE . . . 173.92 151.57 8.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.84 6.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.0 112.08 20.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.93 109.17 7.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' ILE . 22.6 ttp180 -80.35 -62.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 46.34 -171.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.98 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.48 ' OD2' ' CD1' ' A' ' 76' ' ' TRP . 24.0 p-10 -46.98 -49.5 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.498 ' O ' ' CE3' ' A' ' 76' ' ' TRP . 55.6 p-90 -175.22 55.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.44 108.06 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 m -63.42 161.35 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -118.1 150.34 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -82.8 153.97 24.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.64 50.5 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 82' ' ' VAL . 18.0 m -114.94 92.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 66' ' ' THR . 6.3 m -97.77 150.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.6 149.92 21.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.8 p -135.31 139.59 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.93 151.41 17.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -176.66 156.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.69 179.65 30.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -103.51 77.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 37.1 p90 -155.17 129.23 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.0 m -45.02 111.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.97 162.33 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -108.02 118.47 36.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.79 152.39 30.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.46 94.16 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.1 t -113.99 115.56 27.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.53 153.48 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -119.39 179.7 16.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -113.82 161.94 16.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.78 120.37 6.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.72 71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -104.76 136.63 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.82 173.28 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.17 146.28 58.15 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.21 33.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -58.01 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.43 -58.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -171.33 74.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -170.9 141.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.47 100.84 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -117.3 144.74 44.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -117.04 101.67 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -129.7 124.95 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.58 125.51 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.89 133.52 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.55 156.47 47.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.4 169.38 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -154.8 48.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 134' ' ' SER . 5.4 mt -86.26 84.91 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.97 -66.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -166.16 74.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 14' ' ' ALA . 75.3 t -128.67 134.34 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.83 120.32 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.5 136.12 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -127.64 92.46 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 10.2 t -94.8 158.36 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -137.3 95.31 3.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 108.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 8.4 tt -56.79 138.01 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -132.6 53.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -53.98 144.49 27.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 144' ' ' VAL . 26.9 m -147.18 65.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.08 -168.15 12.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.707 ' O ' HG21 ' A' ' 4' ' ' THR . 1.9 t80 -88.06 177.48 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.67 138.34 44.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -178.2 153.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 4' ' ' THR . 1.8 m -165.65 56.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' HA ' ' CA ' ' A' ' 145' ' ' GLY . 28.2 t -80.06 145.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 5' ' ' VAL . 1.8 t -178.57 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.29 127.95 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.92 98.69 0.13 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.1 162.43 13.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.95 149.3 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.11 82.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.59 -179.88 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -117.75 173.84 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB1' HG22 ' A' ' 137' ' ' VAL . . . -141.81 143.99 33.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.7 -65.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.65 -64.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.93 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 tpt -120.38 -43.24 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -167.35 146.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.03 133.35 37.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.6 ptm -90.03 162.21 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.2 124.38 3.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.33 148.74 17.75 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 26' ' ' LEU . 4.5 t80 -140.6 121.49 14.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' O ' HD12 ' A' ' 26' ' ' LEU . 28.3 t-20 -81.81 134.01 35.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -163.92 62.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -139.49 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' ILE . 49.3 p90 -154.42 175.22 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -135.07 128.88 33.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 124.61 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -122.96 87.99 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -177.61 100.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 178.39 -65.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 179.19 38.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -136.71 141.51 35.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.15 10.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -130.08 178.78 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -96.62 172.65 28.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.96 44.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -176.9 148.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.78 55.34 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -157.81 94.27 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 25' ' ' ASN . 3.4 p90 -85.91 138.72 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -147.86 73.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -122.86 78.76 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.4 t -153.04 160.31 42.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' THR . 2.1 mm-40 165.32 149.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -49.65 139.34 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER 62.9 -175.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.515 0.197 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' OG ' ' A' ' 49' ' ' SER . 21.5 t30 -135.12 161.28 35.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -79.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.45 175.79 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -85.32 -179.01 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -110.92 121.44 45.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.01 94.25 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pt -112.57 136.89 47.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 67' ' ' ALA . 2.6 t -88.08 -161.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.617 ' N ' HG23 ' A' ' 66' ' ' THR . . . -171.83 82.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.47 82.24 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.61 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.752 ' O ' HD13 ' A' ' 37' ' ' LEU . . . -126.3 135.84 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -81.39 -171.7 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -113.88 23.71 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.59 81.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -152.5 127.52 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -51.18 56.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -174.8 57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -162.8 148.88 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -83.24 168.75 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 tp -143.87 149.34 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -94.22 150.36 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 164.92 55.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.23 121.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.47 105.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.87 146.22 16.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.9 t -132.53 84.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.234 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.84 119.64 6.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 t80 170.98 134.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.56 -161.31 31.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -90.92 110.54 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 14.0 m-85 -164.25 -171.77 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -42.9 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER 74.66 -62.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -134.4 72.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.8 136.38 50.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.83 111.0 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p -124.73 106.21 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -129.11 149.57 50.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 126' ' ' SER . . . -142.9 144.24 13.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.5 141.65 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.43 79.71 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.97 120.32 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.54 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -159.22 93.56 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -175.52 120.05 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.811 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 mtt -168.49 74.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.25 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.4 -22.86 67.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.98 109.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.39 153.83 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.5 mp -130.29 100.77 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -113.05 173.51 6.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -164.09 149.48 10.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.43 ' HB2' ' CA ' ' A' ' 110' ' ' GLY . 17.4 p -138.25 150.26 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 127' ' ' TYR . 24.2 p90 -109.33 122.68 47.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.07 122.37 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -109.63 147.29 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB2' HG21 ' A' ' 137' ' ' VAL . 0.1 OUTLIER -116.01 134.51 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.039 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -102.01 32.54 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.5 pt -103.2 53.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 54.89 48.28 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 135' ' ' VAL . 3.2 m -133.87 -64.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 134' ' ' SER . 16.8 m 45.83 35.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -145.94 34.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 130' ' ' SER . 47.1 t -93.43 102.64 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -86.69 140.01 16.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.9 m -150.37 101.15 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.383 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 53.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.58 -177.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -152.74 89.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.83 127.26 27.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.4 123.17 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 5' ' ' VAL . . . -129.03 -161.42 10.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -110.85 103.13 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 p -162.46 133.15 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.511 HG22 HG12 ' A' ' 5' ' ' VAL . 38.6 m -148.68 -101.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.511 HG12 HG22 ' A' ' 4' ' ' THR . 7.5 p -162.51 144.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 m -141.38 151.46 43.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.7 81.11 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.74 -179.83 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.726 ' O ' HD13 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -166.19 94.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 111.018 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 141' ' ' ILE . . . -123.84 95.84 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.62 152.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 -66.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.95 147.4 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.681 ' HB3' ' HB2' ' A' ' 19' ' ' ASN . . . -118.12 136.18 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.27 70.43 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -154.59 -79.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.42 82.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.5 mtt 54.57 92.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.681 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -126.22 107.5 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.93 91.93 2.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.6 85.57 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.06 159.31 21.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.95 132.94 1.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.9 p90 173.83 130.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 p30 164.2 46.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 27' ' ' LYS . 4.7 tt -162.93 138.81 7.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.814 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -168.13 97.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -128.22 110.16 12.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.833 ' HB3' HD13 ' A' ' 40' ' ' ILE . 2.4 ptt-85 -138.66 172.37 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -131.66 109.65 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.09 135.72 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -140.02 40.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.0 t70 83.26 -50.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -137.32 67.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 t -139.46 71.1 38.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.63 4.32 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.29 102.77 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.88 178.77 48.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.85 128.83 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' A' ' 29' ' ' ARG . 7.3 tp -109.1 141.68 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.45 -165.89 10.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.0 p -176.22 142.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.01 98.86 7.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.24 119.25 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.04 110.45 23.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.5 p -86.18 114.86 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -101.89 44.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 124.72 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -174.21 167.04 4.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.53 0.205 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 41.28 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -41.13 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -173.23 -66.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -178.02 148.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -147.57 161.56 40.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -172.44 -169.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.84 163.67 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 mt -82.74 137.68 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.739 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.654 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 99.5 m -112.85 90.9 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 66' ' ' THR . . . 82.12 -147.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.52 -115.0 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.58 42.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.02 160.58 29.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.19 171.44 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.8 154.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.4 mt 42.81 83.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -106.92 82.88 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HB2' ' CD1' ' A' ' 76' ' ' TRP . 14.9 p30 -115.05 -50.4 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.736 ' CE3' ' ND2' ' A' ' 116' ' ' ASN . 9.2 p-90 -179.85 56.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.0 -179.73 5.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -162.69 74.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.46 ' C ' HD12 ' A' ' 79' ' ' ILE . 1.6 pp -127.76 147.73 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -176.05 98.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 55.92 164.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 p -155.84 124.85 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -173.44 149.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.75 -172.26 15.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.89 55.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.99 133.04 11.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.557 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 46.7 p90 -178.35 -178.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.11 50.49 9.22 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 40.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 27.1 p90 -173.35 84.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.41 100.21 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.68 100.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.479 ' O ' HD13 ' A' ' 132' ' ' ILE . 9.2 p90 -93.97 157.29 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 145.1 153.02 5.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -173.49 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -131.82 147.39 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -161.83 136.74 7.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . 141.92 -100.04 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 110' ' ' GLY . . . -179.23 158.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -96.63 157.45 21.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.4 tp -158.24 119.88 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 166.83 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.1 158.02 25.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.736 ' ND2' ' CE3' ' A' ' 76' ' ' TRP . 0.5 OUTLIER -84.0 141.68 40.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.25 34.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.0 ttt -107.56 -60.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.84 -69.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -158.46 76.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.2 p -166.56 128.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.76 100.89 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.32 178.48 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -157.22 123.15 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.54 110.93 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.4 t -129.06 173.11 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.051 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -110.46 108.61 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 141' ' ' ILE . 17.1 mm-40 -103.21 91.5 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.421 ' CG ' ' HA ' ' A' ' 136' ' ' ASP . 3.4 tt0 -167.29 144.35 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 p -81.73 179.69 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.57 35.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 105' ' ' TYR . 1.7 pt -115.68 39.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 132' ' ' ILE . 2.9 tpp180 36.0 50.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.5 t -147.59 -72.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 55.7 t -83.64 144.44 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.421 ' HA ' ' CG ' ' A' ' 129' ' ' GLN . 6.0 t0 -155.66 72.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.5 t -82.17 144.84 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -78.96 133.41 12.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 139' ' ' THR . 12.8 t -85.52 109.34 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -138.5 53.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 9' ' ' TYR . 46.4 mm -74.41 139.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 141' ' ' ILE . . . -179.56 102.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -129.73 156.73 21.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.57 110.95 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -108.88 146.44 16.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.94 -171.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.54 123.26 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.41 HG21 ' OE2' ' A' ' 31' ' ' GLU . 56.0 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.97 76.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -107.74 152.45 24.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 26' ' ' LEU . 14.9 p -124.17 128.04 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 6' ' ' THR . 7.0 t -103.21 117.78 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.12 83.6 0.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.55 114.91 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.05 111.39 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 139' ' ' THR . . . -94.32 134.29 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -158.15 108.33 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -165.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -164.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -165.6 106.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? 67.77 -67.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -114.46 -109.15 2.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.32 71.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' LYS . 4.2 mpp? -111.54 62.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 60.57 -86.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 77.8 -56.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 mmt 61.71 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . 165.1 -126.03 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.46 -141.42 4.77 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -152.46 122.29 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.24 104.81 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -169.84 134.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.98 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.97 154.01 27.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HA ' HG23 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -131.53 146.78 52.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.426 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -124.66 109.89 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE2' HG21 ' A' ' 2' ' ' THR . 4.4 pt-20 -104.81 175.51 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.82 164.57 31.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.4 17.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.04 30.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.05 84.21 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 62.66 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.69 111.53 5.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.72 167.75 46.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.6 p -173.82 46.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG23 ' HA ' ' A' ' 29' ' ' ARG . 3.2 tt -165.47 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.35 -146.52 11.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' N ' ' A' ' 26' ' ' LEU . 9.6 t -143.7 149.47 37.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.736 . . . . 0.0 110.055 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 43' ' ' PHE . 27.6 p90 -177.41 82.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 1.5 t -179.4 48.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -165.32 79.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -99.32 155.23 17.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.99 106.09 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 129.44 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ARG . 16.3 p -72.03 61.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.472 0.177 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -73.09 147.44 44.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 166.27 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 3.7 t-20 68.6 158.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.01 98.29 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CE2' ' HB ' ' A' ' 44' ' ' THR . 1.3 t80 -179.93 112.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.36 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 43' ' ' PHE . . . -148.99 61.76 0.43 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 85' ' ' VAL . 2.8 mp -91.25 122.52 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -167.91 134.18 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.94 -170.58 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.42 70.65 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD2' ' CE1' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 167.31 27.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.28 122.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -98.95 155.72 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.61 ' C ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER 67.44 -165.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.61 HD13 ' C ' ' A' ' 72' ' ' ARG . 2.3 mm -106.87 -74.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.63 57.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.32 -59.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.9 82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 -73.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 m 61.45 42.53 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -146.32 76.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.488 ' HB2' HD22 ' A' ' 113' ' ' LEU . 93.5 t80 -105.61 101.96 11.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.92 101.92 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.72 163.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.65 88.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.34 163.23 18.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.742 ' O ' HD13 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -140.41 69.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.56 132.49 4.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.94 132.71 36.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.5 156.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 150.21 28.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -84.4 -151.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.336 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.8 p -69.85 97.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.27 116.55 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -141.87 141.83 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.689 ' HA3' HD13 ' A' ' 132' ' ' ILE . . . -166.43 -109.93 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 106' ' ' GLY . 44.7 m-85 -153.1 161.93 41.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 129' ' ' GLN . 21.9 p -128.68 139.16 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -124.82 131.96 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.55 -168.92 23.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -127.97 154.04 46.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.502 ' O ' HD22 ' A' ' 113' ' ' LEU . . . -170.08 106.5 0.24 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 112' ' ' GLY . 1.0 OUTLIER -130.78 -165.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -137.33 149.4 47.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.41 89.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 166.29 80.02 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 88.36 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.8 mtt -143.27 -82.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -101.88 -87.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 120' ' ' ASN . 4.3 p30 -171.38 63.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 122' ' ' ALA . 9.9 p -119.01 167.72 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.425 ' H ' HG22 ' A' ' 121' ' ' VAL . . . -130.79 96.39 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 tp -93.74 86.01 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.61 -163.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -177.3 -171.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER -165.36 -174.65 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.425 ' N ' ' OG ' ' A' ' 126' ' ' SER . 1.4 t80 -172.22 48.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 1.5 tt0 -171.22 167.76 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 137' ' ' VAL . 4.0 mt-30 163.52 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 p -113.52 163.68 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.24 37.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.741 HG23 ' N ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -161.37 -148.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.741 ' N ' HG23 ' A' ' 132' ' ' ILE . 3.3 ttt-85 -60.75 -58.12 9.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ASP . 57.8 p -41.26 -45.0 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.733 ' O ' HG13 ' A' ' 135' ' ' VAL . 0.3 OUTLIER 37.63 33.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 134' ' ' SER . 2.1 t70 -170.5 62.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -127.67 97.77 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -105.59 122.7 7.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 10' ' ' ALA . 9.2 m -137.52 71.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -173.92 169.66 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -168.86 -45.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -169.62 173.0 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.13 134.84 5.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 144' ' ' VAL . 4.7 p -132.32 113.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.55 3.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.84 112.11 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.747 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 167.35 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.14 74.51 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 146' ' ' TYR . 24.1 m -98.72 134.79 41.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.0 t -107.51 102.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.417 HG23 HG22 ' A' ' 4' ' ' THR . 4.8 p -135.01 114.95 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.67 -146.39 17.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.63 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -67.31 132.38 47.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.76 119.99 18.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -124.52 165.85 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -160.05 125.9 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.42 120.46 34.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.95 172.16 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.25 71.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.3 -43.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 71.56 56.03 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 0.749 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 tpp -160.45 68.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.59 135.77 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -132.63 86.08 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -102.24 133.81 46.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.34 121.0 2.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.43 -177.87 35.81 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 35.9 p90 -177.74 120.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 164.81 101.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -174.55 40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 83.02 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -150.03 69.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -80.65 159.07 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.672 ' O ' HG12 ' A' ' 39' ' ' VAL . 2.8 t80 -112.98 84.68 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.08 95.9 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.51 -160.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -57.05 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -116.39 54.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.0 p -91.23 141.91 26.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -84.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.01 167.69 20.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.27 62.61 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 30' ' ' TYR . 19.5 m -91.75 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.737 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 67' ' ' ALA . 16.6 tt -80.28 135.62 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.97 42.21 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.64 116.83 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -168.72 104.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 m -108.49 157.36 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.18 94.6 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.04 160.12 43.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.94 153.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -69.86 -60.72 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 p 59.43 167.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 110.278 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.489 0.185 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -111.09 108.12 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 71.32 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -136.11 139.27 42.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -114.43 156.26 24.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 92.01 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -179.94 -163.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.85 165.79 38.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' ILE . 8.1 tt -80.6 116.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 p -124.49 113.31 17.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 40' ' ' ILE . . . -77.98 154.75 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.93 107.35 3.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.28 89.17 7.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.93 47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.83 144.83 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.64 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -111.23 -49.39 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' CG2' ' A' ' 73' ' ' ILE . 25.3 p30 -171.26 50.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -65.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -172.24 79.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 108.066 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.55 132.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.67 161.82 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.3 mt -101.72 115.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.08 107.82 18.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.57 80.47 0.31 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.3 m -86.23 117.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.56 122.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.38 152.64 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.4 t -111.55 113.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.85 140.21 11.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.74 96.34 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.92 71.44 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.32 64.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -168.7 177.3 5.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.7 p -179.87 137.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 177.62 -177.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -102.29 116.44 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.62 146.71 17.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.21 134.31 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -109.35 90.55 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.974 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -113.57 113.28 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -146.25 175.54 25.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.89 42.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.402 ' C ' HD13 ' A' ' 113' ' ' LEU . . . -153.81 153.63 24.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.063 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -128.94 -178.02 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -168.05 120.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -108.28 -166.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -124.26 108.06 29.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 ptm -159.38 -43.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -103.81 -86.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -174.63 72.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 121' ' ' VAL . 8.1 p -146.28 100.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.67 173.93 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 123' ' ' LEU . 4.2 pp -155.05 122.11 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.57 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.375 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 125' ' ' PHE . 3.2 p90 -169.44 135.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.1 m -113.03 131.98 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -121.18 120.12 34.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.9 176.11 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -165.23 169.3 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 t -80.96 137.71 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -150.03 20.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.435 HG12 ' N ' ' A' ' 133' ' ' ARG . 0.2 OUTLIER -132.93 -139.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 134' ' ' SER . 0.8 OUTLIER -41.28 -66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER 163.21 52.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.958 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.95 131.08 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.08 103.69 12.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.55 157.03 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.49 87.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 13.4 t -86.55 172.28 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -156.44 101.17 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 107.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.6 pt -109.33 167.62 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.74 99.79 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.61 121.18 6.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.94 150.46 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 70.82 161.74 4.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 21.6 p90 -176.33 55.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.16 131.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.516 HG21 ' HG3' ' A' ' 31' ' ' GLU . 68.8 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.88 114.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -123.95 142.6 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.09 121.63 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.462 HG23 ' HA3' ' A' ' 143' ' ' GLY . 3.7 m -152.89 113.47 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' N ' ' HA3' ' A' ' 143' ' ' GLY . . . 141.05 -170.67 24.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 126.91 -77.79 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 142' ' ' ALA . 1.4 m-85 -48.58 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . -113.77 150.21 33.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -152.48 121.91 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 63.8 174.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 137' ' ' VAL . 13.3 m-20 -170.37 46.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.1 131.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB2' ' CB ' ' A' ' 136' ' ' ASP . 2.2 tt0 -49.27 117.87 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.63 89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.32 -44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm 55.7 84.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.74 128.27 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.76 -173.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.52 -49.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.79 -86.75 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.62 -163.49 27.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.44 116.76 27.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -109.56 167.26 10.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.64 88.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -55.25 122.24 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.76 109.4 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.1 128.22 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -113.4 127.51 56.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.516 ' HG3' HG21 ' A' ' 2' ' ' THR . 9.6 pt-20 -144.16 153.89 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -134.63 176.11 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -45.75 61.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.07 -51.52 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.23 150.53 1.91 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.19 70.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.9 134.15 12.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.0 p -172.67 58.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.75 146.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.48 76.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m 178.12 71.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -155.53 109.81 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.736 HG22 ' CE1' ' A' ' 63' ' ' TYR . 3.8 t -142.26 174.99 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -128.26 151.74 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 p -85.66 163.16 18.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -146.76 81.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.14 -160.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.02 -169.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.6 p90 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.46 -63.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.97 151.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.06 115.07 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER 173.22 76.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 84.6 m-85 -162.22 172.61 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.736 ' CE1' HG22 ' A' ' 44' ' ' THR . 10.8 t80 -172.97 -173.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.89 159.93 13.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.07 128.16 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.9 p -141.86 171.2 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' A' ' 39' ' ' VAL . . . -172.77 153.16 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.57 133.55 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.9 145.12 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -168.13 175.73 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 62.2 132.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.55 143.33 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.0 -169.18 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -58.53 -54.34 48.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -167.24 56.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.86 149.93 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.43 145.95 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mm -131.61 115.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 8.5 p90 -125.37 128.2 47.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -127.22 139.39 11.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -133.13 142.87 40.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 141.46 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.4 -158.61 8.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -142.87 104.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.2 153.32 52.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.81 -178.49 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA3' ' CE2' ' A' ' 90' ' ' PHE . . . -38.23 131.35 1.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -119.42 73.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE2' ' HA3' ' A' ' 88' ' ' GLY . 7.1 m-85 -91.52 165.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.5 m -54.71 137.92 43.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.47 166.47 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -173.45 162.71 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.04 -157.68 9.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.466 ' O ' ' CB ' ' A' ' 108' ' ' SER . 2.7 t80 -147.69 68.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 107' ' ' PHE . 0.4 OUTLIER 162.06 146.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER 179.69 46.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -157.12 118.42 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 127' ' ' TYR . . . 178.49 80.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -122.01 179.69 16.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.29 108.38 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -125.75 100.03 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -168.69 104.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 122' ' ' ALA . 2.2 p-10 -146.07 149.63 39.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.89 4.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.436 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -177.32 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -18.96 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -74.64 -18.86 60.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 p -161.61 118.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 116' ' ' ASN . . . -114.07 -169.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.63 106.26 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -56.22 136.53 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -164.17 54.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.7 m -108.76 114.5 28.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 111' ' ' ALA . 24.1 p90 -124.5 125.39 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.482 ' H ' HG21 ' A' ' 139' ' ' THR . 3.1 pt-20 -80.71 161.02 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -109.86 127.04 54.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.5 p -131.61 128.03 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.71 36.01 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.2 tp -111.95 61.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 79.82 -53.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -43.92 -48.68 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.0 t 63.79 -79.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -94.59 95.73 8.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 13' ' ' ASP . 12.7 p -82.05 142.32 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.71 72.56 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 139' ' ' THR . 8.2 t -101.61 64.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -80.12 106.71 12.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.52 125.35 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . . . -96.24 116.4 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.462 ' HA3' HG23 ' A' ' 6' ' ' THR . . . -126.33 178.21 16.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.31 148.77 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -78.64 103.21 1.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.24 145.48 51.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -145.05 131.15 19.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -140.87 170.07 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 147' ' ' ARG . 67.4 p -121.5 176.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.546 ' O ' HG12 ' A' ' 5' ' ' VAL . 63.0 t -111.22 70.64 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -121.47 154.05 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.85 58.1 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.33 151.39 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -144.16 141.14 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.45 156.27 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -100.24 99.86 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -71.17 94.85 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.604 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 p-10 -163.4 106.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 13' ' ' ASP . . . 169.97 -178.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 39.5 60.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.07 -26.24 10.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 77.78 26.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -155.05 89.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -155.99 124.83 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 102.53 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.435 ' SD ' HG11 ' A' ' 137' ' ' VAL . 6.5 ttt -136.47 110.88 8.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.48 136.8 14.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.0 138.24 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -152.62 113.7 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -115.73 147.65 40.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 94.16 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -41.55 109.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -112.28 85.02 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -105.75 144.73 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -126.28 133.33 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -98.02 114.96 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -121.6 -173.42 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.58 61.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.19 -51.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.68 117.87 66.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' HD13 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 61.08 5.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -171.51 -177.74 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.11 122.66 2.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -82.5 131.1 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 40' ' ' ILE . 7.9 mm -119.68 100.29 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.63 -172.58 32.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 p -173.81 146.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -153.23 101.26 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 t -118.71 122.09 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -82.42 143.42 31.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.9 m -97.86 94.08 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -93.53 109.62 21.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' ARG . 2.2 tttt -138.67 161.79 36.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.8 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' LYS . 2.2 ttp85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.49 0.186 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.87 140.0 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -50.0 175.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 7.7 t-20 80.42 99.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.01 166.19 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 48.4 p90 -80.03 129.22 34.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -171.73 40.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 65' ' ' ILE . . . -100.24 142.99 16.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.469 HD12 ' C ' ' A' ' 64' ' ' GLY . 3.8 mp -135.88 96.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 m -98.53 157.22 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.75 173.13 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.66 158.66 8.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.41 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -171.62 90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 12.7 p90 -164.51 113.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.83 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -164.21 78.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 43.32 56.85 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.59 -83.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.88 51.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.33 132.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.63 57.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.86 122.29 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -92.65 177.84 5.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.99 65.96 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 82' ' ' VAL . 5.3 m -85.95 150.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.6 p -102.58 105.51 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.96 123.76 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 87' ' ' TYR . 53.1 t -124.14 82.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.48 131.84 10.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.486 ' CE2' HG13 ' A' ' 85' ' ' VAL . 30.7 m-85 -146.86 100.77 3.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 0.74 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.38 131.49 10.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.73 168.25 17.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -91.87 143.52 26.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -136.52 89.63 2.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.26 149.73 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 105' ' ' TYR . 13.5 p90 -170.99 99.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.44 152.94 17.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.55 124.5 50.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.79 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.5 m -88.4 141.37 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -149.6 141.81 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -165.75 -175.32 36.13 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.63 113.23 20.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.7 93.99 1.78 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.57 99.37 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -113.14 144.66 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.88 177.29 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -82.24 139.98 45.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 141.56 26.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.9 ttt -71.85 -59.92 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.545 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -116.38 -56.49 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -179.97 83.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -176.82 119.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.63 137.26 36.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.87 85.71 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' CG ' HD13 ' A' ' 141' ' ' ILE . 36.1 p30 -79.7 152.75 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -141.92 114.92 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.29 91.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -81.79 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.51 80.57 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -82.98 113.46 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 m -80.12 158.06 26.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.968 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -118.92 36.13 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 4.7 mm -80.07 77.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER 78.98 -58.38 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.593 ' O ' HG12 ' A' ' 135' ' ' VAL . 91.5 p -177.16 85.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.03 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.674 HG13 ' N ' ' A' ' 136' ' ' ASP . 0.4 OUTLIER 83.91 -176.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.674 ' N ' HG13 ' A' ' 135' ' ' VAL . 19.5 t0 176.65 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.435 HG11 ' SD ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -173.95 160.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.56 113.78 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 139' ' ' THR . 15.2 t -174.11 41.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.46 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.69 ' C ' HD12 ' A' ' 141' ' ' ILE . 1.6 pp -110.06 154.96 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -172.89 139.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.81 169.6 42.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.49 168.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -127.07 117.97 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -169.66 102.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.777 ' HA ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.38 153.7 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.533 0.206 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -89.37 106.18 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -140.92 155.68 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 5' ' ' VAL . 6.9 p -132.5 108.5 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.474 ' OG1' ' CD2' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -89.91 155.42 19.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.872 ' O ' HG22 ' A' ' 141' ' ' ILE . . . -104.64 76.21 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.78 141.91 15.57 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.619 ' CB ' HG21 ' A' ' 141' ' ' ILE . 5.3 t80 -177.86 126.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 117.6 21.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -91.5 130.81 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -43.03 127.19 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 177.47 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.36 -178.3 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.03 59.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.55 67.59 1.89 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.78 44.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.9 mtm -74.52 -76.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 74.08 -65.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -179.77 126.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 ptm -171.57 126.35 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.84 141.09 6.75 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 9' ' ' TYR . . . -121.27 161.37 15.35 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -113.2 135.52 53.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 26' ' ' LEU . 3.8 m120 -119.22 138.28 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 25' ' ' ASN . 4.0 mm? -125.99 152.1 46.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -124.35 135.8 53.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -178.92 83.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.0 -155.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -105.69 109.95 22.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.67 141.53 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.31 -170.86 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -52.72 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -148.94 59.11 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -93.78 122.88 61.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HB3' HD11 ' A' ' 73' ' ' ILE . 18.3 Cg_endo -74.99 56.35 4.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.79 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.05 105.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.63 140.26 15.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.9 t -120.24 124.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mm -133.5 125.83 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.1 124.78 1.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.18 -173.89 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -106.16 111.09 23.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -129.53 107.16 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -132.87 164.12 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.4 m -111.68 127.22 55.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.01 88.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.53 157.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -162.08 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.524 0.202 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 177.78 -176.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 pttp 175.27 130.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 170.22 107.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -130.25 -149.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -170.76 -163.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -122.63 179.82 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.93 -89.11 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 65' ' ' ILE . 0.9 OUTLIER -168.55 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 66' ' ' THR . 8.9 t -87.94 106.8 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.91 -169.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.07 65.39 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.47 112.0 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.509 ' CD1' ' CE1' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -102.15 161.47 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 42.83 69.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 73' ' ' ILE . 6.7 tt -74.62 72.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.6 -50.34 5.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 12.7 m-20 -118.73 -75.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.471 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 179.56 63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.025 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.41 -144.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.2 m 63.15 133.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -168.82 91.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.509 ' CE1' ' CD1' ' A' ' 71' ' ' TYR . 9.1 p90 -129.33 129.24 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.07 108.31 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.03 135.72 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.56 94.16 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.73 120.88 2.24 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 85' ' ' VAL . 13.3 p -111.82 115.02 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.802 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.71 161.22 24.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.31 118.98 29.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.99 115.39 4.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -179.63 109.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -168.43 -169.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.59 86.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.62 -47.06 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 2.8 p90 -139.81 127.12 21.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -129.96 123.92 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.9 120.52 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.5 p -81.22 114.27 19.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -112.3 118.61 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -156.69 119.06 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.98 153.49 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.47 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.5 95.89 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -177.16 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -159.23 169.14 24.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -134.78 65.96 67.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.25 3.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -175.07 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.43 -26.79 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.88 -43.23 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.5 81.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.17 78.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.474 ' CD2' ' OG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -168.55 -154.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.465 ' H ' HD12 ' A' ' 123' ' ' LEU . 32.3 m-20 -142.19 158.4 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 126' ' ' SER . 3.1 p90 -151.34 138.89 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER 159.36 -83.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.03 157.03 47.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -177.82 63.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -155.7 -167.61 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -92.52 170.68 9.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.82 70.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.14 66.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.6 56.75 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 -72.06 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.3 t -131.98 123.42 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -115.65 102.41 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 95.3 t -95.78 122.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.45 145.98 41.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 126' ' ' SER . 2.2 m -131.03 145.07 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.22 81.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 7' ' ' GLY . 15.4 mm -151.11 -44.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.17 150.4 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 149.79 -18.92 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -112.32 154.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.52 -178.53 41.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.12 147.5 21.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 147.11 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 3' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 2' ' ' THR . 0.1 OUTLIER -83.88 57.74 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 p -62.8 165.24 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -145.77 81.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.572 HG23 ' ND2' ' A' ' 25' ' ' ASN . 8.9 t -135.75 149.7 49.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.38 135.64 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.56 -126.66 0.86 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -175.53 154.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB1' ' OG1' ' A' ' 139' ' ' THR . . . -105.85 138.52 41.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -85.01 148.66 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.43 ' HB3' ' CA ' ' A' ' 21' ' ' MET . 4.3 t -123.6 90.61 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.616 ' HB3' HG11 ' A' ' 137' ' ' VAL . 0.4 OUTLIER -136.31 151.97 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 13' ' ' ASP . . . 176.45 119.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.42 -62.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.38 -63.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -168.46 91.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.76 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -51.06 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -177.88 -76.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.12 139.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.43 ' CA ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -66.05 145.43 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.01 58.19 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 130.39 3.75 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -124.68 157.7 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.572 ' ND2' HG23 ' A' ' 6' ' ' THR . 6.2 p-10 -94.04 129.66 40.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.35 111.57 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB3' HG22 ' A' ' 6' ' ' THR . 6.6 ptpp? -67.86 118.27 10.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -178.11 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -177.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.81 83.38 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.43 94.07 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 170.83 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -47.82 72.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -47.13 -48.82 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -82.26 116.34 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 71' ' ' TYR . 3.0 mm? -102.68 118.62 37.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.79 164.98 28.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.83 143.6 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 pp -106.96 140.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.15 179.66 18.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.2 p -176.43 87.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.77 61.09 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -112.46 167.57 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 44' ' ' THR . 44.0 p90 -110.56 136.93 48.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -99.06 165.89 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 2.9 pp20? -86.85 147.19 25.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 11.9 mttt 168.36 51.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.5 t -119.41 158.58 25.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 49' ' ' SER . 2.5 ttt85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.458 0.17 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -101.45 96.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 62' ' ' TYR . 1.4 ttpp 71.66 -60.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 70.55 -64.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -126.61 160.74 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -131.1 171.02 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.26 130.01 30.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.37 155.1 26.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.68 132.85 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.1 p -82.34 109.9 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.54 93.32 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.32 94.72 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.78 98.13 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CD1' HD21 ' A' ' 37' ' ' LEU . 50.8 t80 -158.85 101.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.1 OUTLIER 164.05 102.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 72' ' ' ARG . 6.7 pt -154.32 114.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.58 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.76 -52.48 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -114.66 82.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.98 168.58 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.55 141.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 80' ' ' TYR . 31.9 mt -80.43 162.23 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 1.2 t80 -144.14 65.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.53 96.78 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.6 t -114.38 154.62 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 83' ' ' VAL . 14.2 p -128.14 106.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.08 121.28 5.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 85' ' ' VAL . 14.2 m -121.21 107.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.93 78.7 1.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.12 145.35 41.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.66 -149.22 5.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.14 129.38 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CE1' ' OG1' ' A' ' 102' ' ' THR . 1.2 p90 -112.02 157.3 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.558 ' OG1' ' CE1' ' A' ' 90' ' ' PHE . 3.8 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 102' ' ' THR . 69.1 p 53.01 74.13 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -133.01 176.76 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -169.1 137.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.32 175.25 45.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -135.12 118.72 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 m -141.51 128.84 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.441 ' N ' ' CD1' ' A' ' 109' ' ' TYR . 7.4 p90 -157.56 159.16 36.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -142.19 -124.77 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.58 113.55 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.652 ' O ' HD23 ' A' ' 113' ' ' LEU . . . 37.92 -139.18 0.57 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 165.79 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.72 159.41 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 116' ' ' ASN . 6.1 p90 -142.58 -154.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.533 ' O ' ' CE2' ' A' ' 115' ' ' PHE . 0.8 OUTLIER -88.74 118.03 68.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.9 40.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.4 ptt? 176.02 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -0.05 30.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 64.27 55.51 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.56 140.93 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.22 151.59 19.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 123' ' ' LEU . 3.1 tt -147.46 78.97 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -44.35 114.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -97.04 84.52 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.505 ' OG ' HG22 ' A' ' 141' ' ' ILE . 80.9 p -104.88 158.34 16.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.96 143.96 49.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.12 121.3 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -148.6 112.06 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 135' ' ' VAL . 28.1 p -103.65 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.93 71.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER -138.36 48.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.63 31.48 16.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.458 ' C ' HG12 ' A' ' 135' ' ' VAL . 2.4 m -149.6 -58.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 130' ' ' SER . 11.0 p 44.33 46.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.77 -32.53 11.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.728 HG12 ' H ' ' A' ' 138' ' ' GLY . 1.8 t -145.57 -173.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.728 ' H ' HG12 ' A' ' 137' ' ' VAL . . . -169.75 -90.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.504 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 1.8 t -175.02 136.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.491 ' CE3' ' O ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -116.2 140.89 48.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.042 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.505 HG22 ' OG ' ' A' ' 126' ' ' SER . 5.5 tt -108.33 167.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.485 ' HB2' ' CZ2' ' A' ' 140' ' ' TRP . . . -149.23 148.73 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.21 155.91 26.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 144' ' ' VAL . 7.5 p -147.7 63.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 127.21 156.99 9.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 13.5 p90 -175.57 45.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.51 132.72 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 55.9 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -133.65 112.69 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -120.88 106.24 11.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.09 115.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.8 p -121.14 125.65 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.63 109.45 0.67 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.16 -147.2 5.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -115.28 -167.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.49 110.67 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -152.15 163.15 39.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -116.18 142.24 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -143.08 112.65 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -178.03 -179.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 55.83 -87.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . 166.23 68.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 77.66 59.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.8 tpt -99.12 60.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 61.59 123.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.38 154.66 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -149.63 -64.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.97 -172.98 28.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.88 -161.85 33.12 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -120.26 161.76 20.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -133.21 130.27 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.5 161.63 21.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.19 147.27 27.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.4 138.75 54.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.34 155.54 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -178.7 47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -151.87 166.64 30.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.12 177.31 9.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.08 5.11 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -104.89 -12.27 16.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -158.63 98.01 1.73 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 79.74 2.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tp -161.06 86.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.86 166.75 14.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.85 122.88 53.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 pt -102.98 66.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 117.07 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.5 m -143.29 168.58 19.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 16.4 p90 -122.83 136.2 54.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.3 m -126.34 163.71 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 2.1 p90 -141.21 132.84 27.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.3 m -102.31 158.26 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.57 45.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -128.44 159.02 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t 76.99 -157.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.524 0.202 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 23.5 p-10 -175.4 108.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER 165.77 -75.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 79.05 -64.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -165.44 140.4 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -80.42 115.24 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.63 145.71 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.67 90.34 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.551 ' CG1' HG12 ' A' ' 85' ' ' VAL . 1.1 pt -83.4 109.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.38 138.54 53.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.13 103.3 7.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.51 108.35 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -169.62 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.23 111.62 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.76 152.91 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.11 70.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -109.57 -44.74 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 175.11 68.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.09 -74.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.67 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -171.67 55.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 83.51 -68.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.4 p -174.71 111.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.87 151.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -178.01 134.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.54 158.13 52.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 128' ' ' GLU . 33.7 m -102.3 177.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.54 121.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 107' ' ' PHE . . . -148.65 -173.53 19.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 85' ' ' VAL . 12.1 p -137.59 93.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -53.36 159.43 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.677 ' CE2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 t80 -158.06 72.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.88 39.69 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -135.31 121.03 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CE2' ' CE2' ' A' ' 87' ' ' TYR . 1.3 m-85 -157.43 175.97 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.4 m -114.58 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -178.42 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -157.48 170.81 21.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.28 118.71 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.44 ' CE2' ' HA3' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -167.35 -172.93 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.976 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' N ' ' A' ' 130' ' ' SER . 0.1 OUTLIER 175.5 -154.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.77 -167.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.64 -118.51 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.08 143.98 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.08 108.4 2.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.23 79.99 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -111.1 87.01 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -144.64 175.71 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -104.79 114.63 63.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -120.28 -37.61 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.81 -80.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.8 t30 177.84 76.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.44 146.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.91 171.47 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 142' ' ' ALA . 0.2 OUTLIER -173.73 123.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.82 127.39 33.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -86.78 48.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t 39.62 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -157.97 93.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.567 ' HB2' HG21 ' A' ' 82' ' ' VAL . 4.9 pt-20 179.29 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.638 ' HB3' HG12 ' A' ' 137' ' ' VAL . 0.0 OUTLIER 168.47 151.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 129' ' ' GLN . 2.9 t 159.73 61.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.489 ' HG3' HG22 ' A' ' 132' ' ' ILE . 3.2 tpm_? -94.93 -70.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.489 HG22 ' HG3' ' A' ' 131' ' ' ARG . 0.8 OUTLIER 179.29 38.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -42.04 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.532 ' C ' HG23 ' A' ' 135' ' ' VAL . 36.1 m -133.26 8.39 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.532 HG23 ' C ' ' A' ' 134' ' ' SER . 3.6 t 77.45 -56.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -160.41 96.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.665 HG22 ' H ' ' A' ' 138' ' ' GLY . 8.7 p -117.2 176.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.665 ' H ' HG22 ' A' ' 137' ' ' VAL . . . -179.56 -157.32 19.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.1 m -98.13 108.49 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.403 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.688 ' O ' HD13 ' A' ' 141' ' ' ILE . 0.0 OUTLIER -101.84 74.7 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.005 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 140' ' ' TRP . 23.4 mm -141.89 166.92 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 123' ' ' LEU . . . -114.65 83.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.36 138.2 21.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.48 103.39 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.11 118.12 4.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -154.82 117.47 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.73 155.7 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 3' ' ' SER . 4.5 m . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 2' ' ' THR . 39.6 t -159.22 98.24 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 4' ' ' THR . 1.5 m 47.07 84.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 p -125.43 39.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.421 ' N ' ' HA3' ' A' ' 145' ' ' GLY . 2.2 p -138.85 161.96 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.04 126.3 2.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.42 -153.9 6.72 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.489 ' H ' HG21 ' A' ' 141' ' ' ILE . 0.8 OUTLIER -117.85 124.29 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.57 102.44 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.22 106.79 10.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.81 177.38 7.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 178.69 154.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.44 174.12 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -105.99 121.81 44.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.75 -40.66 2.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.76 -52.82 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 66.0 83.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -160.4 134.1 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 -59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -69.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.75 -149.26 18.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.61 -91.16 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -168.22 153.5 6.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -136.7 162.47 33.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.15 148.68 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 128.34 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 28' ' ' TYR . 43.4 p90 -109.83 104.85 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 175.06 -166.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -179.09 161.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -171.96 111.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.07 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.449 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 8.2 t70 174.4 -64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -176.01 84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.04 93.39 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.88 4.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tp -173.41 135.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.41 178.54 24.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.0 t -127.71 145.86 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.4 76.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.77 119.31 4.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.0 p -123.47 173.41 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -129.31 129.1 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -117.68 128.64 55.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.9 136.42 40.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 m -91.36 99.21 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -171.02 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 52.67 -170.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m 69.22 87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.527 0.204 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 119.8 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -103.77 77.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.62 99.07 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.09 114.72 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -163.11 -156.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -177.83 135.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.2 129.41 9.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -90.28 87.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 10.1 t -95.68 149.64 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 66' ' ' THR . . . 165.32 88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.71 162.56 15.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.96 36.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.7 86.23 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -177.41 165.72 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.91 -68.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 73' ' ' ILE . 3.0 tp -161.92 110.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.44 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t0 -113.89 -54.54 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -169.89 88.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.007 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 61.35 170.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.0 t -40.63 156.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.4 tt -115.78 159.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 7.6 p90 -83.57 167.87 16.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 156.25 69.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.5 t -81.11 134.14 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.9 t -126.17 92.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.88 -173.51 30.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.65 137.94 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.45 113.14 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -173.51 167.13 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 122.73 93.62 1.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.44 127.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 178.02 110.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 102' ' ' THR . 12.9 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 m -100.48 166.94 10.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASP . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -138.35 166.18 24.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.68 169.06 14.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.59 175.93 21.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.42 137.23 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 0.783 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -115.62 109.07 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -171.48 156.24 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.91 -119.05 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.19 140.32 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.31 138.31 9.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.86 86.02 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.57 92.63 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -136.51 174.72 10.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -103.74 111.15 65.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.39 -62.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.47 -73.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.459 ' OD1' HG21 ' A' ' 5' ' ' VAL . 22.4 t-20 -165.38 82.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.69 136.72 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.01 146.2 27.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -158.96 155.84 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -133.34 130.38 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.91 83.38 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.16 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 127' ' ' TYR . 37.2 p90 -130.63 39.95 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -158.71 125.76 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -133.36 136.02 45.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.26 141.96 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.4 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 2.7 mtt180 49.27 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.535 ' O ' HG22 ' A' ' 132' ' ' ILE . 5.6 mt -98.91 67.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.2 mtp180 78.54 -50.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -34.97 -50.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.4 ' HB ' ' CG ' ' A' ' 131' ' ' ARG . 40.9 t -123.58 92.83 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.52 116.72 26.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 137' ' ' VAL . 55.2 t -145.39 78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.95 -138.47 7.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 5.4 t -175.87 156.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.368 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -168.94 136.53 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.653 HG23 ' N ' ' A' ' 142' ' ' ALA . 0.9 OUTLIER -169.73 -169.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.653 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -112.24 82.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.53 148.82 44.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.4 p -173.98 121.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.421 ' HA3' ' N ' ' A' ' 6' ' ' THR . . . -107.21 -123.64 5.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 4' ' ' THR . 4.7 m-85 -133.69 164.22 27.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 147' ' ' ARG . 5.5 ptt-85 -121.78 117.04 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.58 49.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.63 135.42 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -117.54 133.59 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' THR . 4.7 t -87.21 93.37 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.3 66.95 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.96 156.08 26.78 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.91 -172.02 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.0 118.93 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.24 113.19 14.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -153.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.86 -154.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.93 39.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.38 18.17 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.18 44.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' MET . 1.0 OUTLIER -178.2 -56.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' MET . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 79.64 -52.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' MET . 2.2 p-10 -92.36 -52.79 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.15 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -168.52 98.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.77 174.36 18.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.49 -139.44 10.87 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -100.43 159.47 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.7 49.01 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 40' ' ' ILE . 3.4 mt -174.59 -164.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER 170.7 -87.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -177.61 144.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.807 ' NH1' HG12 ' A' ' 39' ' ' VAL . 4.1 mmt85 -149.07 -175.7 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 30' ' ' TYR . 8.5 p90 -104.21 128.83 51.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.58 142.8 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -154.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.03 -42.75 11.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -126.46 55.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 m -82.27 119.62 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -129.54 108.4 10.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.92 135.79 9.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' NH1' ' A' ' 29' ' ' ARG . 36.9 t -102.38 136.38 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.673 HG22 ' CA ' ' A' ' 68' ' ' GLY . 2.4 tp -125.13 129.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.04 85.81 1.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.45 104.29 13.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -160.12 166.81 29.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.3 p -123.68 147.58 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -85.84 159.63 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 60' ' ' ASN . 3.7 m -81.93 80.23 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.1 170.14 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mmtp 64.23 -101.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.1 p 83.77 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.541 0.21 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -129.7 109.36 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 166.48 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASN . . . . . 0.562 ' HA ' HG21 ' A' ' 46' ' ' THR . 1.4 m120 -97.31 131.8 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -171.67 84.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -80.4 151.2 29.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -164.65 57.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.28 136.34 12.96 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.463 HG22 HG12 ' A' ' 85' ' ' VAL . 5.5 tp -123.93 152.52 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.79 141.58 23.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.63 98.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.673 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -73.72 -51.18 9.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.3 Cg_endo -74.99 147.02 33.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.25 165.26 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -178.63 172.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 73' ' ' ILE . 2.9 ttt180 68.13 144.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 48.2 -175.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.4 t-20 77.58 151.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.13 -61.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.5 m95 -141.96 67.42 1.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 76' ' ' TRP . . . 178.86 -173.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -128.42 128.01 43.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.6 mt -129.24 115.92 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -178.05 127.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.86 157.87 50.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.9 105.04 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 p -112.34 125.73 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.38 -162.5 11.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 85' ' ' VAL . 7.7 p -150.17 96.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.51 135.2 28.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 3.3 t80 -91.79 148.58 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CE1' ' A' ' 87' ' ' TYR . . . -42.02 103.55 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 53.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -151.52 94.23 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 t -122.11 78.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.28 116.12 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -112.75 149.4 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -98.46 157.36 20.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -124.88 110.2 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -117.61 136.68 53.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -161.59 137.79 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -149.72 -121.43 1.08 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -168.56 179.4 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.87 127.44 5.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tp -143.62 82.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -86.19 130.15 34.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -92.89 155.4 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -120.15 82.33 29.96 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.61 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 7.5 ttt 69.51 40.77 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -75.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -177.38 45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.84 143.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.31 121.37 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.23 164.35 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -179.51 106.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -147.53 176.79 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 86.7 p -177.75 166.1 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -114.55 113.56 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -97.11 153.32 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -128.13 139.77 52.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.617 ' HB2' HG21 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -133.63 160.31 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.03 74.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 135' ' ' VAL . 6.9 mm -104.64 71.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.93 57.76 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.61 74.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 132' ' ' ILE . 88.3 t -140.57 137.56 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.09 148.52 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.617 HG21 ' HB2' ' A' ' 130' ' ' SER . 0.5 OUTLIER -133.5 68.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -69.96 85.4 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 98.0 m -93.07 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -163.58 96.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 142' ' ' ALA . 1.2 tp -146.71 -179.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.52 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -145.4 122.32 11.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.57 166.18 12.54 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.37 121.47 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -104.16 54.1 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.15 111.14 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 131.21 43.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -134.63 83.09 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 t -101.08 149.28 24.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' C ' HG23 ' A' ' 6' ' ' THR . 9.5 p -145.74 146.19 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 5' ' ' VAL . 75.9 p -150.24 168.29 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.77 129.85 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.12 134.63 12.17 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 9' ' ' TYR . 9.1 p90 -176.3 126.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.13 174.39 14.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.0 106.98 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.2 p -78.47 153.25 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -131.85 86.86 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.542 ' HB2' HG22 ' A' ' 137' ' ' VAL . . . -110.46 114.97 28.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 39.09 40.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -127.06 1.82 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -166.67 60.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.9 mtm 61.2 95.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -156.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -122.49 84.05 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.45 166.88 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.89 ' O ' HG23 ' A' ' 46' ' ' THR . . . -116.42 110.35 2.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.83 103.98 1.5 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.34 152.87 30.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -179.25 107.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.71 159.89 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -130.55 163.92 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -143.84 108.92 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 144.56 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 30' ' ' TYR . 18.6 p90 -129.82 77.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -124.19 144.63 49.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -170.36 46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -160.64 36.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 53.26 81.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p 173.2 93.8 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.18 2.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 101.41 3.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.14 -161.76 17.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -126.13 152.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 40' ' ' ILE . 1.8 tt -94.33 92.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.91 57.53 0.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p -108.79 148.56 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -151.19 147.6 27.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 m -104.26 167.77 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 4.8 p90 -167.48 53.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -172.26 163.54 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.57 -165.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 174.61 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 t -133.63 135.01 43.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 15.8 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.541 0.21 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.5 m120 64.29 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.1 pttp 46.2 48.11 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -143.94 123.7 13.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 178.01 95.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -90.4 88.15 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 107.41 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.83 -174.04 24.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.59 146.03 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -119.54 161.13 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.8 113.73 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.03 82.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.123 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.64 14.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.28 146.83 29.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -130.03 177.94 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -74.1 -176.31 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -66.63 138.02 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -165.92 -50.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.0 -57.31 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.605 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER 177.54 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 77.36 -64.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -70.33 132.12 45.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -109.28 116.36 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.08 157.38 18.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.56 47.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 82' ' ' VAL . 10.0 p -88.18 79.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.93 76.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.11 114.0 3.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.2 t -101.97 89.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.8 155.21 25.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.404 ' CE1' ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -137.99 -158.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.13 -163.7 32.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -147.79 164.25 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 16.3 p90 -112.86 128.8 56.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 102' ' ' THR . 15.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.0 t -153.07 136.12 15.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -159.34 -60.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -167.03 150.43 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 87' ' ' TYR . . . -132.41 -128.48 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -167.19 117.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -170.28 151.92 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.62 105.92 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.137 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.24 -150.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.312 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 48.43 44.06 28.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 tp -151.72 112.81 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 0.797 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -126.63 139.41 53.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.13 144.55 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -168.33 136.83 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 121' ' ' VAL . 18.4 Cg_endo -74.98 -71.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 174.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.01 -87.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -171.06 34.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 117' ' ' PRO . 6.1 p -99.59 144.87 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -164.69 107.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.65 171.07 10.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.5 102.59 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.447 ' CG ' HG23 ' A' ' 141' ' ' ILE . 0.3 OUTLIER 173.41 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.46 -65.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -126.74 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.81 73.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.51 176.32 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.17 112.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -146.73 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 134' ' ' SER . 13.4 tt -91.6 46.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.97 25.7 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 132' ' ' ILE . 0.2 OUTLIER -112.06 -27.73 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 70.9 t -136.13 146.54 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.57 112.42 17.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 14' ' ' ALA . 44.2 t -91.74 156.49 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -133.67 64.72 0.59 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.0 m -94.61 108.49 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -95.02 95.27 8.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.447 HG23 ' CG ' ' A' ' 125' ' ' PHE . 9.5 tp -90.77 150.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -160.66 118.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -90.16 102.16 2.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 73.4 t -92.73 123.58 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 168.17 -165.65 38.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -167.87 165.63 13.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.55 143.19 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' SER . 39.5 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER 159.94 44.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.4 HG23 ' CD ' ' A' ' 29' ' ' ARG . 3.2 t -165.47 39.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 148' ' ' PHE . 29.1 t -93.15 136.14 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -80.01 170.9 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.789 ' HA2' HD22 ' A' ' 26' ' ' LEU . . . -138.34 148.81 20.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.0 145.99 17.26 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 174.2 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 141' ' ' ILE . . . -160.31 -173.89 4.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -126.04 143.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -115.88 154.66 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.61 136.69 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.91 143.63 42.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -62.39 112.12 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.29 76.25 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.34 -50.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.41 96.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -151.2 -170.02 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -115.15 169.46 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.32 159.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 45' ' ' TYR . . . -129.91 -150.92 7.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 45' ' ' TYR . . . -160.17 117.8 0.79 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -145.25 106.98 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -146.91 98.81 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.789 HD22 ' HA2' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -176.94 166.97 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 12.3 tptt -167.08 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 123.43 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' CD ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -89.15 125.35 35.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.91 96.91 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -155.38 101.72 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -172.8 73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 173.39 -73.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 173.35 80.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.98 115.89 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.19 5.98 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -120.16 111.6 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.1 -126.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG22 ' HA2' ' A' ' 68' ' ' GLY . 7.4 m -80.4 -152.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.522 ' CG1' ' O ' ' A' ' 40' ' ' ILE . 1.4 tt 177.36 39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 175.95 93.46 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -143.31 174.41 10.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -141.73 168.19 20.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -88.08 152.59 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.616 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.7 p90 -106.82 98.62 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 46' ' ' THR . 1.2 m -104.9 88.74 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 mm-40 -80.59 175.83 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 3.6 tmtt? 86.05 170.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.42 137.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 26.7 p90 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -40.47 155.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 61' ' ' GLN . 1.9 tttt -70.8 67.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.96 -71.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 tt0 -165.01 -178.56 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.32 160.55 16.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.63 155.81 17.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 139.75 4.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.732 ' H ' HD13 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -125.06 141.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.345 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -103.72 112.73 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.39 117.58 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.664 ' HA2' HG22 ' A' ' 39' ' ' VAL . . . -47.59 -48.25 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.2 Cg_endo -74.99 136.01 19.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 -168.59 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -170.02 175.22 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 51.23 79.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.754 HG21 ' H ' ' A' ' 77' ' ' ALA . 7.2 tp -161.69 158.01 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.11 -46.87 79.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -118.76 -87.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -155.49 95.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.754 ' H ' HG21 ' A' ' 73' ' ' ILE . . . -167.06 -161.64 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.857 ' O ' HG23 ' A' ' 79' ' ' ILE . 53.9 p 57.03 -164.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.857 HG23 ' O ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -168.4 40.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -81.08 121.82 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.53 51.65 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.34 138.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.24 72.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 104.72 1.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.5 p -168.9 112.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.91 -149.21 5.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -151.67 148.51 28.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 154.47 79.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -80.16 -171.37 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -109.38 57.83 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 p -165.84 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.24 89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -179.47 49.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.61 139.15 10.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -165.67 142.02 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.4 p -116.01 144.91 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -177.15 125.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -178.26 -150.9 8.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.614 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . . . -132.97 146.31 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.545 ' HA3' HD11 ' A' ' 79' ' ' ILE . . . -131.41 -170.84 12.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' ' 112' ' ' GLY . 3.3 mp -145.16 178.87 7.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -154.79 120.08 5.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 114' ' ' GLN . 2.6 t80 162.13 133.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.6 m-20 164.55 81.53 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 122.17 7.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -82.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 -36.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.34 -55.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 122' ' ' ALA . 70.9 t -130.78 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.758 ' HB1' ' O ' ' A' ' 143' ' ' GLY . . . 161.23 86.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -156.9 84.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 1.7 m-20 -162.8 88.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -158.08 149.17 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.751 ' HB3' HD11 ' A' ' 79' ' ' ILE . 48.6 p -161.84 -165.27 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -141.65 115.85 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.53 170.85 13.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.8 163.79 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 131' ' ' ARG . 33.5 p -137.9 76.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 130' ' ' SER . 0.2 OUTLIER 161.76 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.4 pt -104.11 88.5 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 132' ' ' ILE . 5.6 mtm180 38.63 33.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.77 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.616 HG12 HG13 ' A' ' 137' ' ' VAL . 56.2 t -106.54 124.9 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -114.8 89.03 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.616 HG13 HG12 ' A' ' 135' ' ' VAL . 2.9 m -89.64 109.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.27 102.66 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.8 t -118.17 165.85 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -143.83 109.16 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 107.986 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 124' ' ' ASP . 0.1 OUTLIER -86.68 140.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.568 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -87.11 96.33 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLY . . . . . 0.758 ' O ' ' HB1' ' A' ' 122' ' ' ALA . . . -49.1 138.63 15.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 142' ' ' ALA . 3.1 p -178.49 84.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 121' ' ' VAL . . . -114.1 119.69 4.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -165.51 43.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 175.12 116.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.479 ' HA ' ' CG2' ' A' ' 5' ' ' VAL . 44.3 p90 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -158.32 112.04 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 147' ' ' ARG . 43.0 p -82.36 170.45 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -103.17 83.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -91.6 128.02 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.16 106.59 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.44 173.1 21.28 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.66 137.82 45.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.629 ' HB2' ' CG1' ' A' ' 141' ' ' ILE . . . -122.58 150.11 43.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -103.08 112.06 24.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -84.72 112.56 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.46 ' O ' HG22 ' A' ' 137' ' ' VAL . 0.6 OUTLIER -107.47 152.0 24.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.18 -176.3 4.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.55 -71.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.24 69.89 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.5 48.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.69 51.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 176.08 146.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.94 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 119.39 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.17 44.44 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -81.52 162.66 43.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 23' ' ' GLY . 69.0 m-85 -160.02 145.03 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -132.96 129.8 38.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -147.74 166.2 28.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER 34.29 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.551 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 76.5 t80 -133.2 39.68 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -176.77 98.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -154.26 120.31 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -171.58 166.79 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.53 -177.72 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -116.93 61.77 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 178.33 -54.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.96 118.75 64.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.15 32.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.36 152.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.82 110.36 2.0 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -149.8 77.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 29' ' ' ARG . 4.3 tp -174.27 165.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 65.39 39.38 95.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.78 39.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 27' ' ' LYS . 29.9 m-85 -131.48 104.42 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 44' ' ' THR . 13.6 t -146.8 90.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -145.41 145.89 31.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.6 p -83.88 136.47 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 tm-20 -113.33 82.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 169.05 109.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 5.0 p 169.95 113.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.056 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 57' ' ' TYR . 35.8 ttt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 50' ' ' ARG . 4.8 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.537 0.208 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' SER . 55.7 m-20 -79.19 154.38 29.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.97 60.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -45.4 -62.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.7 -170.69 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 179.73 -165.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 49.1 p90 -117.43 140.54 49.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.49 -118.92 1.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 tp -153.42 123.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -108.69 133.66 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.38 111.02 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.73 113.69 4.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 63.14 5.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.49 97.47 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -145.94 94.05 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.56 152.38 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -110.74 -62.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.7 -57.12 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.75 -56.97 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.15 69.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.97 71.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.8 p -76.66 90.98 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.1 pt -137.56 107.34 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 48.4 m-85 -163.62 174.25 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.32 177.26 0.79 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.9 147.73 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.1 p -133.56 144.65 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.42 123.06 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -109.05 98.05 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.14 164.81 54.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.52 167.25 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.07 71.7 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.73 79.15 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -105.14 178.62 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.7 -63.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 52.27 92.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.31 39.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.82 79.24 0.89 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -79.97 137.33 36.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 107.45 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.055 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.55 115.81 20.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -141.96 -150.77 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.84 133.11 19.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.28 151.28 28.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 115' ' ' PHE . 3.5 tt -147.48 101.93 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.12 123.37 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 113' ' ' LEU . 46.2 m-85 -86.38 167.59 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.2 122.49 69.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.75 38.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.2 ttt -151.53 -65.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -109.73 -45.42 3.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 179.3 71.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 121' ' ' VAL . 7.3 p -143.27 108.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.73 70.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 128.83 42.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.477 ' O ' ' CD2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -138.28 76.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 141' ' ' ILE . 1.2 m-85 -164.27 174.3 11.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t 179.52 -81.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.15 169.63 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.0 120.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -87.14 139.12 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.96 105.74 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.956 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.28 89.97 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.436 ' N ' HG12 ' A' ' 135' ' ' VAL . 30.3 mm -79.92 86.5 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.98 54.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.61 78.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.62 HG13 HG23 ' A' ' 137' ' ' VAL . 8.2 p -156.12 140.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 101.55 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.62 HG23 HG13 ' A' ' 135' ' ' VAL . 96.1 t -121.98 115.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -91.13 145.32 17.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 17.5 m -134.22 120.79 20.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -155.09 112.07 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.629 ' CG1' ' HB2' ' A' ' 10' ' ' ALA . 2.7 mp -129.08 150.07 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.6 95.89 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.44 146.3 18.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.4 p -171.38 155.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.82 -161.41 29.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 165.25 17.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.455 ' HA ' HG22 ' A' ' 4' ' ' THR . 3.7 ptp180 -90.41 148.0 23.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 84.2 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.9 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.63 74.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -97.48 130.47 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.0 t -106.23 103.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -112.63 114.01 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.9 132.34 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.89 150.49 21.41 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -91.53 136.91 32.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.71 117.29 33.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -171.16 125.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -168.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 152.69 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HB1' HG12 ' A' ' 137' ' ' VAL . . . -172.74 146.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.7 102.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.0 -33.89 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.76 74.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.9 mtt 71.11 97.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -149.89 135.11 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.05 98.62 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 92.24 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.19 108.84 3.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.88 168.78 23.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -130.31 135.04 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.71 134.97 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.21 56.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -66.42 138.94 57.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.62 118.49 30.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -85.92 161.64 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -108.24 140.23 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -80.44 154.69 27.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 136.54 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.27 -38.74 91.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 176.46 39.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.66 127.64 16.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.62 71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.79 117.44 3.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -138.12 153.77 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -177.57 179.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 40' ' ' ILE . . . -111.71 -134.98 6.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.16 141.43 15.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.37 114.89 29.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -120.31 -179.94 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.84 97.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -82.5 148.42 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.36 -179.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.9 112.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.422 ' C ' ' CG ' ' A' ' 50' ' ' ARG . 4.6 t -176.45 -62.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' CG ' ' C ' ' A' ' 49' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.514 0.197 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -118.53 130.4 55.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -105.55 118.52 36.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -177.83 95.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -143.0 121.34 12.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 87' ' ' TYR . 10.6 m-85 -165.48 165.03 19.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -146.75 156.15 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 65' ' ' ILE . . . 98.71 107.39 2.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' GLY . 4.5 pt -151.68 41.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -158.98 151.34 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -178.27 86.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.5 126.48 0.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 132.92 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.91 166.89 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -57.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 73' ' ' ILE . 8.4 mt 67.5 56.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -74.05 -156.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 76' ' ' TRP . 0.3 OUTLIER -90.96 -33.22 15.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -152.85 47.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 108.004 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.98 122.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.23 -62.84 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 tt -95.34 41.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 8.8 p90 -80.48 149.44 30.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 42.13 83.18 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.812 HG22 ' CD2' ' A' ' 109' ' ' TYR . 4.4 m -105.82 168.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.518 HG22 ' CE1' ' A' ' 107' ' ' PHE . 88.8 t -110.36 123.38 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.48 173.7 30.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 85' ' ' VAL . 56.0 t -137.96 64.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 161.22 17.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.544 ' HB2' ' CE1' ' A' ' 62' ' ' TYR . 7.9 m-85 -113.95 132.87 55.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.76 136.61 13.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.95 156.04 33.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 134.09 35.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -151.05 121.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.966 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.26 -66.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 16.6 p90 -175.33 134.07 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.9 157.6 20.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CE1' HG22 ' A' ' 83' ' ' VAL . 1.6 t80 -179.06 120.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.39 150.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.812 ' CD2' HG22 ' A' ' 82' ' ' VAL . 1.5 t80 -170.5 -147.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -140.85 -94.24 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.092 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' GLY . . . 177.61 162.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -119.91 125.15 6.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 124.0 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -86.64 114.13 23.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 122' ' ' ALA . 43.8 p90 -100.57 -172.69 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -132.48 106.45 13.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.72 32.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.1 ttt -106.57 -50.29 3.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.94 -47.51 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 169.74 83.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.3 m -145.13 166.55 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . . . -140.13 131.06 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 23.6 mt -133.06 88.66 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -142.96 104.97 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' A' ' 141' ' ' ILE . 35.7 p90 -171.7 147.69 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 59.3 p -173.05 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.439 ' N ' ' OG ' ' A' ' 126' ' ' SER . 38.1 p90 -176.26 158.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' GLU . . . . . 0.53 ' OE1' HG21 ' A' ' 139' ' ' THR . 4.8 pt-20 -138.36 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.464 ' HB3' ' CG1' ' A' ' 135' ' ' VAL . 15.8 mm-40 -129.74 149.61 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 94.5 p -171.84 96.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -177.86 -155.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.8 tt -148.65 93.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 81.99 -44.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' ASP . 14.8 m -82.46 8.46 11.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 129' ' ' GLN . 21.6 t -38.72 98.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' SER . 14.0 t70 -150.67 52.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.596 HG12 ' HB1' ' A' ' 14' ' ' ALA . 15.1 m -115.31 137.05 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -124.02 177.5 16.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.53 HG21 ' OE1' ' A' ' 128' ' ' GLU . 5.0 t -172.73 163.5 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 0.736 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -147.06 72.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 125' ' ' PHE . 14.4 tt -85.2 155.76 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.01 73.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -43.53 115.77 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.06 110.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -179.81 -132.88 1.88 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -177.72 167.36 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 147.74 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.8 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.6 101.47 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -116.12 110.48 18.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 5' ' ' VAL . 57.8 t -93.71 72.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.9 p -97.3 67.87 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.51 165.01 23.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.36 -95.42 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.78 126.49 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.91 141.67 35.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.4 157.71 16.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -118.51 114.38 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.22 111.41 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -119.61 -165.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -117.71 -58.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.87 15.41 5.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 12.9 mt-30 -90.0 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 63.06 70.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -140.08 121.2 14.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -50.8 135.5 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 ttp -150.16 152.03 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.28 148.95 6.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.94 -91.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -159.3 114.85 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -103.55 103.49 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 pp -117.3 114.54 23.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -65.66 143.18 57.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 11.2 t80 -97.94 116.31 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 1.0 OUTLIER -98.48 127.87 44.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -135.72 93.76 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.74 146.76 27.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -168.9 59.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.56 84.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -176.46 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.63 123.36 7.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.43 4.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.35 -177.17 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . -163.37 37.21 0.32 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 68' ' ' GLY . 1.8 p 177.53 135.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -175.31 42.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.03 140.64 3.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.711 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -139.41 141.72 37.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.03 136.22 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 t -166.69 136.98 3.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -154.49 158.23 39.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 p -85.73 172.3 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -151.7 177.39 10.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.1 OUTLIER 65.1 -91.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER 81.42 160.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.504 0.193 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -92.87 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.07 57.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.8 109.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -150.15 98.54 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -98.31 150.9 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -139.7 71.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.72 86.54 0.82 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER -137.0 70.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.4 HG23 HG12 ' A' ' 83' ' ' VAL . 8.8 t -161.58 40.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ALA . . . . . 0.833 ' HB1' ' O ' ' A' ' 81' ' ' GLY . . . -51.48 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' HG22 ' A' ' 39' ' ' VAL . . . 119.88 -175.39 15.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.96 41.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.75 -174.9 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.54 117.55 29.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.32 151.7 27.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.428 ' O ' HD12 ' A' ' 73' ' ' ILE . 2.3 pp -46.61 123.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.73 -44.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.55 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 30.5 m-20 -87.29 -67.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -170.73 69.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.22 171.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.23 115.91 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.32 57.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 80' ' ' TYR . 79.6 t80 -173.7 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.833 ' O ' ' HB1' ' A' ' 67' ' ' ALA . . . -154.21 36.4 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.2 117.54 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 66' ' ' THR . 94.3 t -142.77 150.02 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.79 129.69 1.98 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 m -95.43 103.64 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.77 166.56 12.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.44 97.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.53 -162.76 13.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -178.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.14 95.32 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.3 p -177.22 74.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.73 140.97 16.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -120.46 171.8 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.76 149.86 21.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -119.8 138.43 53.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.23 163.32 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -162.34 117.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.17 -149.13 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -164.4 175.38 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.14 69.23 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.38 120.41 25.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.47 112.29 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -168.17 120.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 172.31 136.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.66 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.9 mtt -128.1 160.98 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.3 pt-20 -44.27 -42.17 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 6.4 m-20 167.22 42.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.96 155.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.18 171.0 14.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 pp -123.41 149.36 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.96 114.76 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.47 131.63 34.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 90.3 p -119.08 92.14 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -104.73 86.78 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -81.19 157.04 25.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -158.96 74.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -82.06 -171.7 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.25 48.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.51 92.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.23 41.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.05 75.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.62 175.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -116.31 102.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.84 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.36 155.28 16.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.4 t -169.25 139.59 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.4 120.72 21.3 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.19 132.58 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -115.47 87.99 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.79 138.84 22.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.8 t -147.47 121.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -166.02 -162.16 16.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.05 136.66 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.06 141.58 34.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.432 -0.211 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.42 69.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.658 HG22 ' H ' ' A' ' 5' ' ' VAL . 3.5 m -143.06 -169.71 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.658 ' H ' HG22 ' A' ' 4' ' ' THR . 21.8 m -94.97 140.49 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 28' ' ' TYR . 13.4 t -151.56 111.38 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.16 -163.41 34.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.6 -160.83 9.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.512 ' H ' HD11 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -101.13 -161.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' MET . . . -125.51 87.54 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -118.42 122.17 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -179.43 168.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.42 116.56 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.01 118.36 36.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 137.61 48.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.17 56.47 12.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.08 -54.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.5 ttm 59.11 68.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -110.58 106.67 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -71.05 73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 29.56 76.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.42 33.53 6.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.65 157.39 22.56 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 p90 -159.35 144.96 16.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.31 124.99 50.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -137.27 76.55 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -133.4 -168.23 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.648 ' HA ' HG22 ' A' ' 6' ' ' THR . 15.4 p90 -137.41 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -135.18 -166.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.36 115.61 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -162.47 58.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 168.61 51.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -178.55 51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 43.14 76.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.97 167.18 13.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.919 HD12 ' HB1' ' A' ' 70' ' ' ALA . 2.6 pt? -127.4 177.94 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.51 ' N ' ' HB3' ' A' ' 70' ' ' ALA . . . 58.04 33.42 69.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.1 p -114.08 113.03 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 tt -171.41 144.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.66 65.82 0.47 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 151.55 21.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.89 132.36 53.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 44' ' ' THR . 1.9 m -118.46 74.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -82.82 150.2 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' GLN . 87.7 m -110.05 167.55 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -177.88 119.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 156.38 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -98.08 153.14 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 18.4 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.531 0.205 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.37 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -163.72 -178.46 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.31 91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -161.84 108.78 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -179.36 39.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CG ' ' HB2' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -125.06 158.23 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.38 85.71 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.53 138.14 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -156.2 129.59 8.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.68 142.55 28.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.99 125.8 3.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.46 4.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.919 ' HB1' HD12 ' A' ' 37' ' ' LEU . . . -141.61 115.48 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.85 126.96 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 65.41 167.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -157.54 100.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.54 -59.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.1 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.639 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -150.81 62.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 80.06 -68.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.76 170.83 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -132.4 164.1 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -81.52 144.37 31.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.23 80.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.1 m -108.3 162.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.78 101.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 89.25 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.4 m -95.62 79.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.63 148.9 35.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 2.1 m-30 -116.65 105.62 12.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.67 67.84 0.28 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -88.06 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 7.8 p90 -94.88 133.01 39.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 102' ' ' THR . 1.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.36 144.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.22 173.79 10.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.13 -169.26 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.22 116.06 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.84 97.49 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.14 126.93 55.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.78 91.65 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -106.15 -142.8 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -134.61 157.82 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.75 131.9 10.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.01 120.96 10.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.64 118.37 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -176.21 98.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 177.38 75.29 0.11 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.18 -62.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -67.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.6 p30 177.37 53.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 145' ' ' GLY . 0.6 OUTLIER -139.99 173.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 122' ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' ' 121' ' ' VAL . . . -119.6 145.25 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -132.71 133.64 43.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.26 156.17 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.91 94.34 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.5 p -49.74 117.06 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.51 103.66 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -132.15 -175.64 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.27 130.34 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.6 p -85.12 -170.46 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -179.29 49.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 12.8 mm -120.77 82.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.403 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 77.68 39.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.51 97.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 136' ' ' ASP . 30.3 t 68.08 166.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.482 ' N ' HG12 ' A' ' 135' ' ' VAL . 2.0 t0 -170.91 -48.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.7 p -176.54 137.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 139' ' ' THR . . . -103.28 -157.85 25.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 138' ' ' GLY . 2.3 p -155.32 112.43 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.37 103.33 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.512 HD11 ' H ' ' A' ' 9' ' ' TYR . 8.4 tp -153.7 159.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -109.71 115.43 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -98.94 120.76 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.423 HG23 HG21 ' A' ' 121' ' ' VAL . 7.4 p -158.02 127.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -113.24 169.63 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -175.74 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.14 150.69 24.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.01 83.4 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -116.51 142.65 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p -145.97 128.6 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -146.18 126.55 14.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.78 88.46 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.88 -160.53 11.01 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -145.5 135.97 24.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.11 170.5 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -162.64 98.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.6 152.52 35.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.432 ' HB3' HG21 ' A' ' 137' ' ' VAL . 1.3 m-20 -94.04 179.82 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.14 83.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 69.01 -72.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.18 79.43 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -145.64 -51.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ttt 59.18 88.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 177.33 95.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.8 -161.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.23 -56.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 -123.63 7.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 24' ' ' PHE . . . -176.85 -105.06 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 93.8 m-85 -161.97 127.5 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.85 83.42 2.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -92.18 92.88 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 142.1 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -152.3 108.9 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' HD2' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -135.38 -157.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -126.81 153.38 45.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.5 116.73 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 5.5 tt0 -140.08 53.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 m-20 170.16 41.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 4.9 m120 82.04 -50.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 160.61 96.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -64.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 pp -177.61 91.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' HA3' ' CG ' ' A' ' 69' ' ' PRO . . . -63.68 118.66 13.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 39' ' ' VAL . 75.8 t -99.03 59.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG22 ' HD2' ' A' ' 29' ' ' ARG . 7.7 pt -80.07 157.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.32 67.62 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 p -89.09 176.23 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 11.9 m-85 -125.05 107.96 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 p -85.32 103.44 14.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -82.77 131.85 35.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.5 p -123.52 111.34 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -112.26 139.58 47.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ARG . 28.8 tttt -118.52 111.2 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m 68.79 -65.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.533 0.206 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -102.66 129.38 49.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -137.96 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -56.35 162.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.52 145.77 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.23 137.24 38.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 16.6 t80 -162.15 160.49 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.424 ' O ' ' CE1' ' A' ' 63' ' ' TYR . . . -162.04 -143.65 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 tp -120.37 131.91 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 0.73 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -123.78 141.45 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.03 138.43 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.59 80.92 1.45 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' PRO . . . . . 0.462 ' CG ' ' HA3' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -75.04 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.58 ' HA ' HG23 ' A' ' 79' ' ' ILE . . . -152.0 139.41 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -95.89 175.16 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 130.1 8.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -121.68 142.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 171.69 -55.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.08 -47.34 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -136.21 87.93 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 107.993 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' HB2' HG12 ' A' ' 73' ' ' ILE . . . -39.94 -66.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p 60.74 57.33 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.58 HG23 ' HA ' ' A' ' 70' ' ' ALA . 35.2 mt -79.87 158.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.415 ' CD2' ' CB ' ' A' ' 111' ' ' ALA . 18.4 m-85 -130.34 112.03 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -37.38 -87.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.55 HG21 ' HB ' ' A' ' 66' ' ' THR . 6.2 p -173.48 171.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 82' ' ' VAL . 6.2 m -144.46 104.24 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.52 -164.01 12.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 p -146.33 135.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.71 153.49 47.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -105.93 137.54 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.6 84.61 1.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.5 61.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.16 150.35 26.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 99.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.1 110.12 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -111.91 90.22 3.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.84 79.75 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.75 125.93 25.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.0 p -106.08 127.89 53.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 109' ' ' TYR . 3.7 p90 -140.28 143.79 36.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -179.09 119.96 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.415 ' CB ' ' CD2' ' A' ' 80' ' ' TYR . . . -116.12 148.83 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.609 ' C ' HD23 ' A' ' 113' ' ' LEU . . . 111.01 131.9 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 177.78 40.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.08 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 115' ' ' PHE . 52.6 p90 -85.32 109.12 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 115' ' ' PHE . 3.4 m-20 174.08 65.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.5 ' HG3' HG13 ' A' ' 121' ' ' VAL . 18.4 Cg_endo -75.02 -51.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 178.2 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.99 -85.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 42.7 t30 178.01 57.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.5 HG13 ' HG3' ' A' ' 117' ' ' PRO . 2.8 p -131.34 153.69 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.06 156.46 17.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 pp -175.78 141.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ASP . . . . . 0.425 ' HB3' HG23 ' A' ' 141' ' ' ILE . 35.6 m-20 -88.75 137.89 31.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.74 90.78 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.1 p -159.44 155.2 26.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.39 128.41 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -107.76 85.63 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -105.14 125.6 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -87.29 177.17 7.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' ARG . . . . . 0.403 ' CD ' ' HB ' ' A' ' 135' ' ' VAL . 4.1 mtp180 51.69 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 132' ' ' ILE . 6.4 tt -91.33 43.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 75.34 5.76 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.6 t -84.24 -41.05 17.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 136' ' ' ASP . 84.0 t -133.2 157.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 135' ' ' VAL . 2.3 t70 76.02 166.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 138' ' ' GLY . 1.9 t -137.72 -175.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' GLY . . . . . 0.732 ' H ' HG12 ' A' ' 137' ' ' VAL . . . -98.63 154.01 19.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.4 t -103.48 142.06 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.96 96.18 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 124' ' ' ASP . 4.6 tp -91.29 137.56 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -168.48 122.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -149.51 -164.29 11.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.054 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.0 p -101.55 153.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -133.18 106.08 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 123.65 50.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 136.01 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 148' ' ' PHE . 22.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.77 55.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -131.74 159.69 37.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.53 141.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -117.28 100.12 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.429 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -116.79 133.54 10.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.19 171.55 31.49 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' H ' HG21 ' A' ' 141' ' ' ILE . 68.5 m-85 -129.51 127.13 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.798 ' HB2' HG23 ' A' ' 139' ' ' THR . . . -119.81 132.95 55.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 12' ' ' SER . 15.6 pt20 -171.06 -166.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 11' ' ' GLN . 1.0 OUTLIER 85.62 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.8 114.17 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.11 78.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' HG22 ' A' ' 135' ' ' VAL . 44.4 tt0 74.75 -60.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.04 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 176.04 50.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.262 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.03 73.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASN . . . . . 0.438 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . 29.5 t-20 -172.61 97.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -108.51 54.84 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 178.53 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.22 -72.53 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.47 -170.45 43.51 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -143.94 132.74 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -114.93 127.26 55.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -151.58 102.57 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.47 -167.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -126.59 175.56 7.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 126.18 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -99.04 61.72 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.28 61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -173.32 56.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t0 176.23 54.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.58 89.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.0 p 179.98 105.99 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.767 ' C ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -84.15 153.2 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.81 163.33 14.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.3 p -151.02 64.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.636 ' N ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -135.36 -174.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.66 -98.37 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.1 p 175.7 -179.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 5.6 p90 -130.64 39.92 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER 177.75 146.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 64.4 t80 -178.29 42.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.98 161.06 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -79.32 -155.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -77.14 -64.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.39 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 57' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.497 0.189 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 2.8 t30 81.75 -66.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 40.31 80.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -56.7 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 175.53 141.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.44 129.13 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -102.42 85.44 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.86 119.81 5.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.19 89.14 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.6 m -95.47 75.36 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.94 -70.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.03 -160.15 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.77 146.52 27.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 40.2 t80 -176.68 138.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.71 86.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 78.2 mt 46.7 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -58.94 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -119.58 -56.54 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 76' ' ' TRP . 10.9 t90 176.72 53.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.78 -172.5 2.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -170.56 91.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -125.31 128.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 71' ' ' TYR . 1.3 t80 -177.25 166.79 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.58 163.18 54.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.09 147.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.94 135.46 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.85 143.05 13.63 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.17 121.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.41 151.62 26.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -108.59 134.98 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.31 121.65 12.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 177.33 84.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' GLN . 2.5 p90 -164.69 -169.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.9 pt20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 102' ' ' THR . 7.4 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -136.64 69.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.97 99.17 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.28 123.84 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.51 132.63 3.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.18 104.07 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' A' ' 129' ' ' GLN . 23.6 p -84.83 170.58 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.68 119.94 7.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -130.34 155.17 20.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.18 119.43 12.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CD2' ' A' ' 123' ' ' LEU . . . -105.78 94.94 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.1 tp -102.26 142.27 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -92.26 68.81 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.2 96.06 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASN . . . . . 0.441 ' HB2' HG23 ' A' ' 121' ' ' VAL . 19.7 p-10 -140.05 147.23 49.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 118' ' ' MET . 18.4 Cg_endo -74.93 1.42 7.72 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' MET . . . . . 0.512 ' CB ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 82.53 49.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -115.99 -64.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -179.65 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 116' ' ' ASN . 2.4 m -130.53 151.74 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.57 44.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' LEU . . . . . 0.452 ' CD2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -179.41 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.1 -37.36 81.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.13 93.85 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 134.99 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.91 162.64 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -94.03 128.08 40.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 108' ' ' SER . 5.3 mp0 -79.09 -164.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.15 -162.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 177.3 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.9 mt -137.79 154.05 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 132' ' ' ILE . 0.6 OUTLIER -35.83 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 134' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.6 OUTLIER -83.45 55.76 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' HG3' ' A' ' 15' ' ' GLN . 13.9 t -152.72 126.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.54 130.34 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.3 109.46 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -74.78 119.68 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 139' ' ' THR . . . . . 0.798 HG23 ' HB2' ' A' ' 10' ' ' ALA . 43.2 m -110.25 81.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.41 90.7 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 142' ' ' ALA . 0.5 OUTLIER -160.76 -167.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ALA . . . . . 0.668 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -136.32 167.57 21.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.65 -163.53 36.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 144' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' GLY . 7.3 p -169.67 78.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -118.55 141.58 16.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 31.2 p90 -117.18 72.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.78 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 146' ' ' TYR . 0.0 OUTLIER 164.31 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 148' ' ' PHE . . . . . 0.418 ' CB ' ' HB ' ' A' ' 2' ' ' THR . 11.9 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 p -126.79 174.65 8.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t 177.61 71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.707 HG21 ' O ' ' A' ' 146' ' ' TYR . 6.2 t -163.24 161.93 25.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.4 p -101.0 114.09 39.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -115.54 158.06 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.94 166.47 34.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.42 -132.5 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.62 151.83 47.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.56 107.9 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -84.15 146.77 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.45 132.65 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -143.67 88.65 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 135' ' ' VAL . . . -121.4 160.51 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 78.17 17.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 72.6 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 43.95 72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.05 46.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.59 148.95 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.16 172.34 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.12 -175.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.21 -63.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.62 -179.11 29.37 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -116.65 134.68 54.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.5 112.14 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.34 124.58 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 128.93 49.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 3.9 p90 -155.03 121.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.34 -176.22 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -167.3 91.65 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -153.75 112.28 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.06 120.57 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 52.83 81.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 176.52 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -170.59 129.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 110.05 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.87 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -174.6 127.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.03 -166.79 11.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.7 p -125.98 99.86 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.754 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.951 HD12 ' O ' ' A' ' 68' ' ' GLY . 40.5 mt -87.22 109.42 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.33 130.63 9.97 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.11 105.97 5.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -112.0 105.45 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -136.3 159.01 43.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.442 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -111.96 160.98 16.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -115.62 111.71 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -81.57 80.45 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.45 145.3 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 58' ' ' ASN . 70.3 m 61.3 -178.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 169.52 151.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.78 98.66 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.59 46.2 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.2 t -164.5 -65.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.041 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 p -170.11 34.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.1 78.87 0.1 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.13 65.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -179.91 -63.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 13.6 t30 -174.78 159.73 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -133.51 172.54 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.43 157.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -101.83 176.25 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -94.14 143.51 26.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -131.99 126.88 35.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.3 137.1 9.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 65' ' ' ILE . 1.0 OUTLIER -122.12 105.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 83' ' ' VAL . 16.2 m -95.9 151.3 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.54 155.78 32.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.951 ' O ' HD12 ' A' ' 40' ' ' ILE . . . 173.92 151.57 8.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.84 6.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.0 112.08 20.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.93 109.17 7.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' ILE . 22.6 ttp180 -80.35 -62.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 46.34 -171.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 57.98 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.48 ' OD2' ' CD1' ' A' ' 76' ' ' TRP . 24.0 p-10 -46.98 -49.5 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.498 ' O ' ' CE3' ' A' ' 76' ' ' TRP . 55.6 p-90 -175.22 55.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.44 108.06 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 m -63.42 161.35 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -118.1 150.34 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -82.8 153.97 24.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.64 50.5 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 82' ' ' VAL . 18.0 m -114.94 92.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 66' ' ' THR . 6.3 m -97.77 150.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.6 149.92 21.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.8 p -135.31 139.59 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.93 151.41 17.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -176.66 156.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.69 179.65 30.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -103.51 77.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.557 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 37.1 p90 -155.17 129.23 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.33 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 m -133.88 119.01 18.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 93' ' ' THR . 5.9 t -142.47 89.75 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -171.27 33.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.533 ' HB3' ' CD1' ' A' ' 98' ' ' TYR . 1.9 m-85 -159.25 169.52 10.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 71.09 5.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.9 m 74.74 82.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -119.25 -55.5 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER 47.91 -173.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -116.43 -49.75 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 63.59 63.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.3 p -124.8 61.95 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.0 m -45.02 111.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.97 162.33 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -108.02 118.47 36.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.79 152.39 30.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.46 94.16 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.1 t -113.99 115.56 27.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.53 153.48 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -119.39 179.7 16.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -113.82 161.94 16.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.78 120.37 6.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.72 71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -104.76 136.63 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.82 173.28 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.17 146.28 58.15 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.21 33.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -58.01 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.43 -58.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -171.33 74.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -170.9 141.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.47 100.84 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -117.3 144.74 44.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -117.04 101.67 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -129.7 124.95 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.58 125.51 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.89 133.52 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.55 156.47 47.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.4 169.38 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -154.8 48.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 134' ' ' SER . 5.4 mt -86.26 84.91 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.97 -66.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -166.16 74.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 14' ' ' ALA . 75.3 t -128.67 134.34 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.83 120.32 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.5 136.12 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -127.64 92.46 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 10.2 t -94.8 158.36 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -137.3 95.31 3.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 108.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 8.4 tt -56.79 138.01 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -132.6 53.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -53.98 144.49 27.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 144' ' ' VAL . 26.9 m -147.18 65.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.08 -168.15 12.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.707 ' O ' HG21 ' A' ' 4' ' ' THR . 1.9 t80 -88.06 177.48 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.67 138.34 44.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 t -169.55 136.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -178.2 153.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 4' ' ' THR . 1.8 m -165.65 56.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' HA ' ' CA ' ' A' ' 145' ' ' GLY . 28.2 t -80.06 145.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 5' ' ' VAL . 1.8 t -178.57 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.29 127.95 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.92 98.69 0.13 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.1 162.43 13.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.95 149.3 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.11 82.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.59 -179.88 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -117.75 173.84 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB1' HG22 ' A' ' 137' ' ' VAL . . . -141.81 143.99 33.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.7 -65.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.65 -64.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.93 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 tpt -120.38 -43.24 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -167.35 146.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.03 133.35 37.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.6 ptm -90.03 162.21 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.2 124.38 3.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.33 148.74 17.75 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 26' ' ' LEU . 4.5 t80 -140.6 121.49 14.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' O ' HD12 ' A' ' 26' ' ' LEU . 28.3 t-20 -81.81 134.01 35.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -163.92 62.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -139.49 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' ILE . 49.3 p90 -154.42 175.22 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -135.07 128.88 33.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 124.61 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -122.96 87.99 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -177.61 100.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 178.39 -65.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 179.19 38.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -136.71 141.51 35.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.15 10.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -130.08 178.78 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -96.62 172.65 28.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.96 44.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -176.9 148.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.78 55.34 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -157.81 94.27 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 25' ' ' ASN . 3.4 p90 -85.91 138.72 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -147.86 73.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -122.86 78.76 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.4 t -153.04 160.31 42.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' THR . 2.1 mm-40 165.32 149.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -49.65 139.34 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER 62.9 -175.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' THR . 25.3 ttm180 176.8 -77.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.642 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.9 OUTLIER 168.99 148.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . 80.16 30.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.56 -47.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 t -113.98 -36.62 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.35 45.65 84.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER 174.49 -170.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.34 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER 68.13 -64.84 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' OG ' ' A' ' 49' ' ' SER . 21.5 t30 -135.12 161.28 35.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -79.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.45 175.79 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -85.32 -179.01 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -110.92 121.44 45.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.01 94.25 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pt -112.57 136.89 47.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 67' ' ' ALA . 2.6 t -88.08 -161.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.617 ' N ' HG23 ' A' ' 66' ' ' THR . . . -171.83 82.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.47 82.24 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.61 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.752 ' O ' HD13 ' A' ' 37' ' ' LEU . . . -126.3 135.84 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -81.39 -171.7 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -113.88 23.71 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.59 81.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -152.5 127.52 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -51.18 56.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -174.8 57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -162.8 148.88 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -83.24 168.75 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 tp -143.87 149.34 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -94.22 150.36 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 164.92 55.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.23 121.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.47 105.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.87 146.22 16.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.9 t -132.53 84.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.234 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.84 119.64 6.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 t80 170.98 134.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.56 -161.31 31.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -90.92 110.54 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 14.0 m-85 -164.25 -171.77 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.7 OUTLIER 74.46 -63.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' THR . 0.9 OUTLIER 66.54 -69.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 92' ' ' THR . 2.0 m 82.79 -49.61 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.562 ' O ' ' CG ' ' A' ' 95' ' ' TYR . 3.0 mt-10 164.31 69.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 1.1 m-85 -178.56 170.65 0.78 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' O ' ' OG1' ' A' ' 97' ' ' THR . 18.3 Cg_endo -75.02 85.0 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 96' ' ' PRO . 11.5 p 52.33 66.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -124.47 60.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 147.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -49.98 -23.25 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.67 88.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -155.24 -56.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -42.9 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER 74.66 -62.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -134.4 72.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.8 136.38 50.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.83 111.0 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p -124.73 106.21 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -129.11 149.57 50.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 126' ' ' SER . . . -142.9 144.24 13.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.5 141.65 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.43 79.71 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.97 120.32 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.54 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -159.22 93.56 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -175.52 120.05 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.811 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 mtt -168.49 74.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.25 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.4 -22.86 67.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.98 109.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.39 153.83 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.5 mp -130.29 100.77 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -113.05 173.51 6.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -164.09 149.48 10.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.43 ' HB2' ' CA ' ' A' ' 110' ' ' GLY . 17.4 p -138.25 150.26 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 127' ' ' TYR . 24.2 p90 -109.33 122.68 47.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.07 122.37 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -109.63 147.29 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB2' HG21 ' A' ' 137' ' ' VAL . 0.1 OUTLIER -116.01 134.51 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.039 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -102.01 32.54 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.5 pt -103.2 53.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 54.89 48.28 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 135' ' ' VAL . 3.2 m -133.87 -64.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 134' ' ' SER . 16.8 m 45.83 35.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -145.94 34.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 130' ' ' SER . 47.1 t -93.43 102.64 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -86.69 140.01 16.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.9 m -150.37 101.15 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.383 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 53.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.58 -177.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -152.74 89.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.83 127.26 27.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.4 123.17 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 5' ' ' VAL . . . -129.03 -161.42 10.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -110.85 103.13 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.0 m 50.15 -100.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 p -162.46 133.15 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.511 HG22 HG12 ' A' ' 5' ' ' VAL . 38.6 m -148.68 -101.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.511 HG12 HG22 ' A' ' 4' ' ' THR . 7.5 p -162.51 144.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 m -141.38 151.46 43.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.7 81.11 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.74 -179.83 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.726 ' O ' HD13 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -166.19 94.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 111.018 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 141' ' ' ILE . . . -123.84 95.84 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.62 152.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 -66.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.95 147.4 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.681 ' HB3' ' HB2' ' A' ' 19' ' ' ASN . . . -118.12 136.18 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.27 70.43 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -154.59 -79.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.42 82.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.5 mtt 54.57 92.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.681 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -126.22 107.5 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.93 91.93 2.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.6 85.57 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.06 159.31 21.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.95 132.94 1.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.9 p90 173.83 130.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 p30 164.2 46.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 27' ' ' LYS . 4.7 tt -162.93 138.81 7.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.814 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -168.13 97.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -128.22 110.16 12.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.833 ' HB3' HD13 ' A' ' 40' ' ' ILE . 2.4 ptt-85 -138.66 172.37 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -131.66 109.65 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.09 135.72 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -140.02 40.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.0 t70 83.26 -50.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -137.32 67.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 t -139.46 71.1 38.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.63 4.32 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.29 102.77 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.88 178.77 48.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.85 128.83 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' A' ' 29' ' ' ARG . 7.3 tp -109.1 141.68 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.45 -165.89 10.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.0 p -176.22 142.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.01 98.86 7.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.24 119.25 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.04 110.45 23.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.5 p -86.18 114.86 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -101.89 44.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 124.72 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -174.21 167.04 4.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 -63.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m 62.5 121.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.371 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 46.26 59.45 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -171.01 -60.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 t -107.97 -38.99 5.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.45 45.86 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -134.77 123.1 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.06 33.83 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 41.28 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -41.13 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -173.23 -66.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -178.02 148.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -147.57 161.56 40.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -172.44 -169.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.84 163.67 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 mt -82.74 137.68 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.739 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.654 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 99.5 m -112.85 90.9 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 66' ' ' THR . . . 82.12 -147.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.52 -115.0 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.58 42.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.02 160.58 29.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.19 171.44 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.8 154.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.4 mt 42.81 83.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -106.92 82.88 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HB2' ' CD1' ' A' ' 76' ' ' TRP . 14.9 p30 -115.05 -50.4 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.736 ' CE3' ' ND2' ' A' ' 116' ' ' ASN . 9.2 p-90 -179.85 56.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.0 -179.73 5.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -162.69 74.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.46 ' C ' HD12 ' A' ' 79' ' ' ILE . 1.6 pp -127.76 147.73 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -176.05 98.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 55.92 164.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 p -155.84 124.85 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -173.44 149.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.75 -172.26 15.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.89 55.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.99 133.04 11.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.557 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 46.7 p90 -178.35 -178.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.11 50.49 9.22 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 40.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 27.1 p90 -173.35 84.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.59 139.55 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.577 ' O ' HG23 ' A' ' 92' ' ' THR . 10.3 t -133.94 103.88 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 94' ' ' GLU . 10.0 t -125.12 -145.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' N ' HG23 ' A' ' 93' ' ' THR . 0.6 OUTLIER 166.12 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -162.71 167.62 11.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.47 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.5 m 64.0 60.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -136.57 49.45 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -47.07 146.69 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -117.95 56.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -42.71 156.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -134.06 165.14 25.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.41 100.21 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.68 100.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.479 ' O ' HD13 ' A' ' 132' ' ' ILE . 9.2 p90 -93.97 157.29 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 145.1 153.02 5.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -173.49 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -131.82 147.39 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -161.83 136.74 7.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . 141.92 -100.04 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 110' ' ' GLY . . . -179.23 158.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -96.63 157.45 21.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.4 tp -158.24 119.88 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 166.83 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.1 158.02 25.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.736 ' ND2' ' CE3' ' A' ' 76' ' ' TRP . 0.5 OUTLIER -84.0 141.68 40.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.25 34.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.0 ttt -107.56 -60.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.84 -69.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -158.46 76.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.2 p -166.56 128.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.76 100.89 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.32 178.48 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -157.22 123.15 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.54 110.93 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.4 t -129.06 173.11 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.051 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -110.46 108.61 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 141' ' ' ILE . 17.1 mm-40 -103.21 91.5 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.421 ' CG ' ' HA ' ' A' ' 136' ' ' ASP . 3.4 tt0 -167.29 144.35 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 p -81.73 179.69 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.57 35.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 105' ' ' TYR . 1.7 pt -115.68 39.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 132' ' ' ILE . 2.9 tpp180 36.0 50.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.5 t -147.59 -72.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 55.7 t -83.64 144.44 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.421 ' HA ' ' CG ' ' A' ' 129' ' ' GLN . 6.0 t0 -155.66 72.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.5 t -82.17 144.84 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -78.96 133.41 12.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 139' ' ' THR . 12.8 t -85.52 109.34 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -138.5 53.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 9' ' ' TYR . 46.4 mm -74.41 139.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 141' ' ' ILE . . . -179.56 102.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -129.73 156.73 21.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.57 110.95 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -108.88 146.44 16.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.94 -171.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.54 123.26 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.41 HG21 ' OE2' ' A' ' 31' ' ' GLU . 56.0 p -128.45 165.87 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.97 76.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -107.74 152.45 24.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 26' ' ' LEU . 14.9 p -124.17 128.04 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 6' ' ' THR . 7.0 t -103.21 117.78 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.12 83.6 0.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.55 114.91 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.05 111.39 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 139' ' ' THR . . . -94.32 134.29 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -158.15 108.33 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -165.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -164.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -165.6 106.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? 67.77 -67.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -114.46 -109.15 2.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.32 71.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' LYS . 4.2 mpp? -111.54 62.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m120 60.57 -86.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 77.8 -56.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 mmt 61.71 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . 165.1 -126.03 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.46 -141.42 4.77 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -152.46 122.29 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -113.24 104.81 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -169.84 134.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.98 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.97 154.01 27.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HA ' HG23 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -131.53 146.78 52.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.426 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -124.66 109.89 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE2' HG21 ' A' ' 2' ' ' THR . 4.4 pt-20 -104.81 175.51 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.82 164.57 31.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.4 17.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.04 30.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.05 84.21 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 62.66 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.69 111.53 5.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.72 167.75 46.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.6 p -173.82 46.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG23 ' HA ' ' A' ' 29' ' ' ARG . 3.2 tt -165.47 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.35 -146.52 11.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' N ' ' A' ' 26' ' ' LEU . 9.6 t -143.7 149.47 37.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.736 . . . . 0.0 110.055 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 43' ' ' PHE . 27.6 p90 -177.41 82.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 1.5 t -179.4 48.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -165.32 79.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -99.32 155.23 17.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.99 106.09 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 129.44 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ARG . 16.3 p -72.03 61.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -38.17 -35.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.702 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 52.6 m 65.95 -68.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . 84.27 54.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -159.85 55.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.9 OUTLIER 85.27 -5.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 57' ' ' TYR . . . -78.81 -21.09 69.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.51 -67.7 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -177.17 140.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -73.09 147.44 44.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 166.27 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 3.7 t-20 68.6 158.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.01 98.29 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CE2' ' HB ' ' A' ' 44' ' ' THR . 1.3 t80 -179.93 112.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.36 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 43' ' ' PHE . . . -148.99 61.76 0.43 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 85' ' ' VAL . 2.8 mp -91.25 122.52 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -167.91 134.18 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.94 -170.58 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.42 70.65 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD2' ' CE1' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 167.31 27.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.28 122.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -98.95 155.72 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.61 ' C ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER 67.44 -165.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.61 HD13 ' C ' ' A' ' 72' ' ' ARG . 2.3 mm -106.87 -74.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.63 57.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.32 -59.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.9 82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 -73.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 m 61.45 42.53 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -146.32 76.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.488 ' HB2' HD22 ' A' ' 113' ' ' LEU . 93.5 t80 -105.61 101.96 11.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.92 101.92 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.72 163.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.65 88.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.34 163.23 18.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.742 ' O ' HD13 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -140.41 69.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.56 132.49 4.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.94 132.71 36.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.5 156.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 150.21 28.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -84.4 -151.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.436 ' HG3' ' CA ' ' A' ' 96' ' ' PRO . 7.6 pm0 -147.52 156.27 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.823 HG22 ' HG3' ' A' ' 99' ' ' LYS . 14.5 t -134.76 -152.64 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.469 ' N ' HG23 ' A' ' 92' ' ' THR . 4.1 m 77.22 -64.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.64 -39.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -158.58 170.28 9.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.436 ' CA ' ' HG3' ' A' ' 91' ' ' GLN . 18.4 Cg_endo -75.01 54.9 3.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.3 p -132.73 -43.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.32 66.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.823 ' HG3' HG22 ' A' ' 92' ' ' THR . 1.9 tmtt? -176.52 -155.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.16 56.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -76.24 59.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -126.07 111.41 14.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.8 p -69.85 97.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.27 116.55 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -141.87 141.83 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.689 ' HA3' HD13 ' A' ' 132' ' ' ILE . . . -166.43 -109.93 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 106' ' ' GLY . 44.7 m-85 -153.1 161.93 41.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 129' ' ' GLN . 21.9 p -128.68 139.16 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -124.82 131.96 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.55 -168.92 23.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -127.97 154.04 46.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.502 ' O ' HD22 ' A' ' 113' ' ' LEU . . . -170.08 106.5 0.24 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 112' ' ' GLY . 1.0 OUTLIER -130.78 -165.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -137.33 149.4 47.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.41 89.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 166.29 80.02 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 88.36 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.8 mtt -143.27 -82.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -101.88 -87.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 120' ' ' ASN . 4.3 p30 -171.38 63.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 122' ' ' ALA . 9.9 p -119.01 167.72 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.425 ' H ' HG22 ' A' ' 121' ' ' VAL . . . -130.79 96.39 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 tp -93.74 86.01 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.61 -163.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -177.3 -171.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER -165.36 -174.65 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.425 ' N ' ' OG ' ' A' ' 126' ' ' SER . 1.4 t80 -172.22 48.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 1.5 tt0 -171.22 167.76 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 137' ' ' VAL . 4.0 mt-30 163.52 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 p -113.52 163.68 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.24 37.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.741 HG23 ' N ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -161.37 -148.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.741 ' N ' HG23 ' A' ' 132' ' ' ILE . 3.3 ttt-85 -60.75 -58.12 9.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ASP . 57.8 p -41.26 -45.0 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.733 ' O ' HG13 ' A' ' 135' ' ' VAL . 0.3 OUTLIER 37.63 33.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 134' ' ' SER . 2.1 t70 -170.5 62.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -127.67 97.77 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -105.59 122.7 7.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 10' ' ' ALA . 9.2 m -137.52 71.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -173.92 169.66 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -168.86 -45.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -169.62 173.0 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.13 134.84 5.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 144' ' ' VAL . 4.7 p -132.32 113.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.55 3.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.84 112.11 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.747 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 167.35 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.4 m -80.38 148.97 30.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.14 74.51 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 146' ' ' TYR . 24.1 m -98.72 134.79 41.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.0 t -107.51 102.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.417 HG23 HG22 ' A' ' 4' ' ' THR . 4.8 p -135.01 114.95 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.67 -146.39 17.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.63 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -67.31 132.38 47.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.76 119.99 18.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -124.52 165.85 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -160.05 125.9 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.42 120.46 34.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.95 172.16 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.25 71.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.3 -43.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 71.56 56.03 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 0.749 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 tpp -160.45 68.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.59 135.77 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -132.63 86.08 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -102.24 133.81 46.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.34 121.0 2.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.43 -177.87 35.81 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 35.9 p90 -177.74 120.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 164.81 101.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -174.55 40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 83.02 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -150.03 69.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -80.65 159.07 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.672 ' O ' HG12 ' A' ' 39' ' ' VAL . 2.8 t80 -112.98 84.68 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.08 95.9 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.51 -160.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -57.05 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -116.39 54.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.0 p -91.23 141.91 26.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -84.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.01 167.69 20.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.27 62.61 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 30' ' ' TYR . 19.5 m -91.75 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.737 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 67' ' ' ALA . 16.6 tt -80.28 135.62 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.97 42.21 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.64 116.83 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -168.72 104.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 m -108.49 157.36 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.18 94.6 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.04 160.12 43.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.94 153.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -69.86 -60.72 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 p 59.43 167.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.23 80.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 110.278 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 m -72.94 -66.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.34 -48.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 m -160.84 67.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.2 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.36 -68.21 1.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.54 -64.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -161.22 107.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -111.09 108.12 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 71.32 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -136.11 139.27 42.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -114.43 156.26 24.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 92.01 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -179.94 -163.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.85 165.79 38.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' ILE . 8.1 tt -80.6 116.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 p -124.49 113.31 17.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 40' ' ' ILE . . . -77.98 154.75 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.93 107.35 3.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.28 89.17 7.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.93 47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.83 144.83 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.64 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -111.23 -49.39 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' CG2' ' A' ' 73' ' ' ILE . 25.3 p30 -171.26 50.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -65.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -172.24 79.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 108.066 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.55 132.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.67 161.82 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.3 mt -101.72 115.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.08 107.82 18.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.57 80.47 0.31 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.3 m -86.23 117.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.56 122.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.38 152.64 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.4 t -111.55 113.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.85 140.21 11.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.74 96.34 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.92 71.44 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.32 64.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -168.7 177.3 5.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER 175.87 179.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 m -39.7 95.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' GLN . 17.1 m -95.6 84.53 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.51 -57.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -106.89 163.71 16.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 64.96 6.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.558 ' C ' ' CG ' ' A' ' 98' ' ' TYR . 21.2 m -129.32 -54.28 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CG ' ' C ' ' A' ' 97' ' ' THR . 5.4 p90 36.67 48.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.35 78.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.49 -52.97 62.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.72 -69.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.6 p -128.98 175.19 8.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.7 p -179.87 137.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 177.62 -177.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -102.29 116.44 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.62 146.71 17.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.21 134.31 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -109.35 90.55 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.974 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -113.57 113.28 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -146.25 175.54 25.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.89 42.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.402 ' C ' HD13 ' A' ' 113' ' ' LEU . . . -153.81 153.63 24.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.063 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -128.94 -178.02 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -168.05 120.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -108.28 -166.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -124.26 108.06 29.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 ptm -159.38 -43.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -103.81 -86.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -174.63 72.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 121' ' ' VAL . 8.1 p -146.28 100.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.67 173.93 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 123' ' ' LEU . 4.2 pp -155.05 122.11 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.57 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.375 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 125' ' ' PHE . 3.2 p90 -169.44 135.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.1 m -113.03 131.98 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -121.18 120.12 34.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.9 176.11 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -165.23 169.3 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 t -80.96 137.71 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -150.03 20.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.435 HG12 ' N ' ' A' ' 133' ' ' ARG . 0.2 OUTLIER -132.93 -139.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 134' ' ' SER . 0.8 OUTLIER -41.28 -66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER 163.21 52.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.958 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.95 131.08 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.08 103.69 12.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.55 157.03 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.49 87.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 13.4 t -86.55 172.28 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -156.44 101.17 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 107.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.6 pt -109.33 167.62 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.74 99.79 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.61 121.18 6.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.94 150.46 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 70.82 161.74 4.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 21.6 p90 -176.33 55.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.16 131.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.516 HG21 ' HG3' ' A' ' 31' ' ' GLU . 68.8 p -65.3 160.27 22.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.88 114.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -123.95 142.6 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.09 121.63 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.462 HG23 ' HA3' ' A' ' 143' ' ' GLY . 3.7 m -152.89 113.47 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' N ' ' HA3' ' A' ' 143' ' ' GLY . . . 141.05 -170.67 24.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 126.91 -77.79 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 142' ' ' ALA . 1.4 m-85 -48.58 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . -113.77 150.21 33.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -152.48 121.91 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 63.8 174.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 137' ' ' VAL . 13.3 m-20 -170.37 46.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.1 131.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB2' ' CB ' ' A' ' 136' ' ' ASP . 2.2 tt0 -49.27 117.87 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.63 89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.32 -44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm 55.7 84.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.74 128.27 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.76 -173.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.52 -49.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.79 -86.75 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.62 -163.49 27.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.44 116.76 27.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -109.56 167.26 10.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.64 88.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -55.25 122.24 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.76 109.4 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.1 128.22 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -113.4 127.51 56.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.516 ' HG3' HG21 ' A' ' 2' ' ' THR . 9.6 pt-20 -144.16 153.89 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -134.63 176.11 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -45.75 61.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.07 -51.52 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.23 150.53 1.91 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.19 70.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.9 134.15 12.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.0 p -172.67 58.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.75 146.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.48 76.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m 178.12 71.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -155.53 109.81 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.736 HG22 ' CE1' ' A' ' 63' ' ' TYR . 3.8 t -142.26 174.99 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -128.26 151.74 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 p -85.66 163.16 18.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -146.76 81.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.14 -160.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.02 -169.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 57.25 99.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 51' ' ' THR . 1.8 m 48.18 71.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.04 -64.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -4.39 44.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 t 61.41 44.44 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 56' ' ' ASP . . . -98.76 -47.49 1.93 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.565 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 1.7 t70 163.27 -43.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 53.6 p90 40.4 -163.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.46 -63.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.97 151.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.06 115.07 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER 173.22 76.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 84.6 m-85 -162.22 172.61 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.736 ' CE1' HG22 ' A' ' 44' ' ' THR . 10.8 t80 -172.97 -173.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.89 159.93 13.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.07 128.16 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.9 p -141.86 171.2 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' A' ' 39' ' ' VAL . . . -172.77 153.16 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.57 133.55 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.9 145.12 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -168.13 175.73 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 62.2 132.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.55 143.33 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.0 -169.18 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -58.53 -54.34 48.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -167.24 56.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.86 149.93 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.43 145.95 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mm -131.61 115.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 8.5 p90 -125.37 128.2 47.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -127.22 139.39 11.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -133.13 142.87 40.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 141.46 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.4 -158.61 8.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -142.87 104.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.2 153.32 52.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.81 -178.49 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA3' ' CE2' ' A' ' 90' ' ' PHE . . . -38.23 131.35 1.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -119.42 73.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE2' ' HA3' ' A' ' 88' ' ' GLY . 7.1 m-85 -91.52 165.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.17 -56.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 93' ' ' THR . 12.9 t -171.69 -153.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.54 ' N ' HG23 ' A' ' 92' ' ' THR . 9.2 m -161.2 -96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 93' ' ' THR . 1.7 tt0 -150.17 -59.73 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -117.89 168.44 9.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.85 4.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.7 t -112.12 -44.32 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -172.2 -175.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' C ' ' OG1' ' A' ' 93' ' ' THR . 0.0 OUTLIER -91.15 -173.05 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.42 -53.66 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.08 -68.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -172.58 -172.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.5 m -54.71 137.92 43.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.47 166.47 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -173.45 162.71 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.04 -157.68 9.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.466 ' O ' ' CB ' ' A' ' 108' ' ' SER . 2.7 t80 -147.69 68.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 107' ' ' PHE . 0.4 OUTLIER 162.06 146.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER 179.69 46.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -157.12 118.42 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 127' ' ' TYR . . . 178.49 80.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -122.01 179.69 16.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.29 108.38 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -125.75 100.03 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -168.69 104.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 122' ' ' ALA . 2.2 p-10 -146.07 149.63 39.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.89 4.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.436 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -177.32 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -18.96 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -74.64 -18.86 60.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 p -161.61 118.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 116' ' ' ASN . . . -114.07 -169.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.63 106.26 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -56.22 136.53 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -164.17 54.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.7 m -108.76 114.5 28.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 111' ' ' ALA . 24.1 p90 -124.5 125.39 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.482 ' H ' HG21 ' A' ' 139' ' ' THR . 3.1 pt-20 -80.71 161.02 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -109.86 127.04 54.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.5 p -131.61 128.03 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.71 36.01 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.2 tp -111.95 61.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 79.82 -53.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -43.92 -48.68 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.0 t 63.79 -79.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -94.59 95.73 8.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 13' ' ' ASP . 12.7 p -82.05 142.32 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.71 72.56 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 139' ' ' THR . 8.2 t -101.61 64.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -80.12 106.71 12.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.52 125.35 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . . . -96.24 116.4 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.462 ' HA3' HG23 ' A' ' 6' ' ' THR . . . -126.33 178.21 16.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.31 148.77 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -78.64 103.21 1.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.24 145.48 51.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -145.05 131.15 19.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.499 ' H2 ' ' HB2' ' A' ' 147' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m 68.42 -68.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 1' ' ' ALA . 89.2 p -140.87 170.07 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 147' ' ' ARG . 67.4 p -121.5 176.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.546 ' O ' HG12 ' A' ' 5' ' ' VAL . 63.0 t -111.22 70.64 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -121.47 154.05 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.85 58.1 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.33 151.39 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -144.16 141.14 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.45 156.27 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -100.24 99.86 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -71.17 94.85 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.604 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 p-10 -163.4 106.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 13' ' ' ASP . . . 169.97 -178.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 39.5 60.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.07 -26.24 10.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 77.78 26.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -155.05 89.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -155.99 124.83 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 102.53 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.435 ' SD ' HG11 ' A' ' 137' ' ' VAL . 6.5 ttt -136.47 110.88 8.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.48 136.8 14.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.0 138.24 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -152.62 113.7 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -115.73 147.65 40.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 94.16 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -41.55 109.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -112.28 85.02 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -105.75 144.73 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -126.28 133.33 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -98.02 114.96 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -121.6 -173.42 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.58 61.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.19 -51.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.68 117.87 66.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' HD13 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 61.08 5.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -171.51 -177.74 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.11 122.66 2.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -82.5 131.1 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 40' ' ' ILE . 7.9 mm -119.68 100.29 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.63 -172.58 32.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 p -173.81 146.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -153.23 101.26 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 t -118.71 122.09 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -82.42 143.42 31.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.9 m -97.86 94.08 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -93.53 109.62 21.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' ARG . 2.2 tttt -138.67 161.79 36.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.8 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' LYS . 2.2 ttp85 57.06 101.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 m -71.68 -69.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -166.58 -57.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -172.58 96.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 78.64 45.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.952 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.51 -59.88 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 178.41 155.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -141.85 135.9 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.87 140.0 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -50.0 175.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 7.7 t-20 80.42 99.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.01 166.19 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 48.4 p90 -80.03 129.22 34.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -171.73 40.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 65' ' ' ILE . . . -100.24 142.99 16.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.469 HD12 ' C ' ' A' ' 64' ' ' GLY . 3.8 mp -135.88 96.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 m -98.53 157.22 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.75 173.13 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.66 158.66 8.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.41 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -171.62 90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 12.7 p90 -164.51 113.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.83 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -164.21 78.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 43.32 56.85 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.59 -83.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.88 51.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.33 132.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.63 57.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.86 122.29 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -92.65 177.84 5.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.99 65.96 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 82' ' ' VAL . 5.3 m -85.95 150.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.6 p -102.58 105.51 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.96 123.76 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 87' ' ' TYR . 53.1 t -124.14 82.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.48 131.84 10.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.486 ' CE2' HG13 ' A' ' 85' ' ' VAL . 30.7 m-85 -146.86 100.77 3.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 0.74 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.38 131.49 10.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.73 168.25 17.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -91.87 143.52 26.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.44 63.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.36 103.49 11.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.347 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.4 97.55 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -167.61 -51.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -80.9 170.4 15.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.78 20.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.4 p 47.61 40.9 12.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -46.99 170.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -69.54 -89.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 1.9 t-20 75.84 31.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -156.33 93.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.08 150.25 35.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -136.52 89.63 2.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.26 149.73 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 105' ' ' TYR . 13.5 p90 -170.99 99.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.44 152.94 17.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.55 124.5 50.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.79 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.5 m -88.4 141.37 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -149.6 141.81 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -165.75 -175.32 36.13 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.63 113.23 20.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.7 93.99 1.78 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.57 99.37 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -113.14 144.66 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.88 177.29 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -82.24 139.98 45.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 141.56 26.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.9 ttt -71.85 -59.92 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.545 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 0.3 OUTLIER -116.38 -56.49 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.545 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 0.5 OUTLIER -179.97 83.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -176.82 119.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.63 137.26 36.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.87 85.71 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.5 ' CG ' HD13 ' A' ' 141' ' ' ILE . 36.1 p30 -79.7 152.75 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -141.92 114.92 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.29 91.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -81.79 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.51 80.57 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -82.98 113.46 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 m -80.12 158.06 26.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.968 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -118.92 36.13 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 4.7 mm -80.07 77.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER 78.98 -58.38 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.593 ' O ' HG12 ' A' ' 135' ' ' VAL . 91.5 p -177.16 85.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.03 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.674 HG13 ' N ' ' A' ' 136' ' ' ASP . 0.4 OUTLIER 83.91 -176.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.674 ' N ' HG13 ' A' ' 135' ' ' VAL . 19.5 t0 176.65 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.435 HG11 ' SD ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -173.95 160.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.56 113.78 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 139' ' ' THR . 15.2 t -174.11 41.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.46 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.69 ' C ' HD12 ' A' ' 141' ' ' ILE . 1.6 pp -110.06 154.96 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -172.89 139.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.81 169.6 42.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.49 168.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -127.07 117.97 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -169.66 102.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.777 ' HA ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.38 153.7 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.463 ' HB2' ' H1 ' ' A' ' 1' ' ' ALA . 65.4 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.645 ' H3 ' ' HB3' ' A' ' 31' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m 63.35 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.474 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 1' ' ' ALA . 4.2 m -89.37 106.18 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -140.92 155.68 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 5' ' ' VAL . 6.9 p -132.5 108.5 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.474 ' OG1' ' CD2' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -89.91 155.42 19.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.872 ' O ' HG22 ' A' ' 141' ' ' ILE . . . -104.64 76.21 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.78 141.91 15.57 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.619 ' CB ' HG21 ' A' ' 141' ' ' ILE . 5.3 t80 -177.86 126.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 117.6 21.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -91.5 130.81 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -43.03 127.19 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 177.47 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.36 -178.3 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.03 59.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.55 67.59 1.89 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.78 44.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.9 mtm -74.52 -76.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 74.08 -65.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -179.77 126.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 ptm -171.57 126.35 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.84 141.09 6.75 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 9' ' ' TYR . . . -121.27 161.37 15.35 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -113.2 135.52 53.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 26' ' ' LEU . 3.8 m120 -119.22 138.28 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 25' ' ' ASN . 4.0 mm? -125.99 152.1 46.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -124.35 135.8 53.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -178.92 83.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.0 -155.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -105.69 109.95 22.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.645 ' HB3' ' H3 ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -116.67 141.53 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.31 -170.86 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -52.72 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -148.94 59.11 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -93.78 122.88 61.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HB3' HD11 ' A' ' 73' ' ' ILE . 18.3 Cg_endo -74.99 56.35 4.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.79 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.05 105.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.63 140.26 15.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.9 t -120.24 124.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mm -133.5 125.83 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.1 124.78 1.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.18 -173.89 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -106.16 111.09 23.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -129.53 107.16 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -132.87 164.12 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.4 m -111.68 127.22 55.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.01 88.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.53 157.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -162.08 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.04 89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.639 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 11.1 t -110.03 -152.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 51' ' ' THR . . . 166.91 47.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.86 43.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.69 -44.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.67 61.56 1.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -141.94 76.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -95.6 100.3 12.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 177.78 -176.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 pttp 175.27 130.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 170.22 107.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 1.0 OUTLIER -130.25 -149.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -170.76 -163.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -122.63 179.82 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.93 -89.11 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 65' ' ' ILE . 0.9 OUTLIER -168.55 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 66' ' ' THR . 8.9 t -87.94 106.8 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.91 -169.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.07 65.39 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.47 112.0 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.509 ' CD1' ' CE1' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -102.15 161.47 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 42.83 69.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 73' ' ' ILE . 6.7 tt -74.62 72.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.6 -50.34 5.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 12.7 m-20 -118.73 -75.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.471 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 179.56 63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.025 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.41 -144.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.2 m 63.15 133.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -168.82 91.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.509 ' CE1' ' CD1' ' A' ' 71' ' ' TYR . 9.1 p90 -129.33 129.24 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.07 108.31 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.03 135.72 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.56 94.16 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.73 120.88 2.24 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 85' ' ' VAL . 13.3 p -111.82 115.02 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.802 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.71 161.22 24.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.31 118.98 29.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.99 115.39 4.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -179.63 109.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -168.43 -169.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 66.42 177.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.21 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 2.5 m 76.34 -55.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 93' ' ' THR . 0.8 OUTLIER 85.68 -7.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -86.13 168.9 17.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 60.18 5.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -163.96 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 57.49 164.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 -76.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 41.63 59.89 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.44 153.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.1 m -39.51 -84.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.59 86.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.62 -47.06 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 2.8 p90 -139.81 127.12 21.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -129.96 123.92 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.9 120.52 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.5 p -81.22 114.27 19.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -112.3 118.61 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -156.69 119.06 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.98 153.49 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.47 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.5 95.89 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -177.16 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -159.23 169.14 24.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -134.78 65.96 67.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.25 3.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -175.07 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.43 -26.79 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.88 -43.23 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.5 81.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.17 78.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' CD2' ' OG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -168.55 -154.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.465 ' H ' HD12 ' A' ' 123' ' ' LEU . 32.3 m-20 -142.19 158.4 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 126' ' ' SER . 3.1 p90 -151.34 138.89 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER 159.36 -83.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.03 157.03 47.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -177.82 63.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -155.7 -167.61 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -92.52 170.68 9.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.82 70.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.14 66.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.6 56.75 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 -72.06 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.3 t -131.98 123.42 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -115.65 102.41 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 95.3 t -95.78 122.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.45 145.98 41.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 126' ' ' SER . 2.2 m -131.03 145.07 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.22 81.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 7' ' ' GLY . 15.4 mm -151.11 -44.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.17 150.4 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 149.79 -18.92 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -112.32 154.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.52 -178.53 41.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.12 147.5 21.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 147.11 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' HB3' ' C ' ' A' ' 29' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 3' ' ' SER . 1.0 OUTLIER -86.79 166.18 15.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 2' ' ' THR . 0.1 OUTLIER -83.88 57.74 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 p -62.8 165.24 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -145.77 81.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.572 HG23 ' ND2' ' A' ' 25' ' ' ASN . 8.9 t -135.75 149.7 49.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.38 135.64 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.56 -126.66 0.86 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -175.53 154.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB1' ' OG1' ' A' ' 139' ' ' THR . . . -105.85 138.52 41.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -85.01 148.66 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.43 ' HB3' ' CA ' ' A' ' 21' ' ' MET . 4.3 t -123.6 90.61 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.616 ' HB3' HG11 ' A' ' 137' ' ' VAL . 0.4 OUTLIER -136.31 151.97 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 13' ' ' ASP . . . 176.45 119.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.42 -62.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.38 -63.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -168.46 91.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.76 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -51.06 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -177.88 -76.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.12 139.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.43 ' CA ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -66.05 145.43 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.01 58.19 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 130.39 3.75 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -124.68 157.7 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.572 ' ND2' HG23 ' A' ' 6' ' ' THR . 6.2 p-10 -94.04 129.66 40.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.35 111.57 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB3' HG22 ' A' ' 6' ' ' THR . 6.6 ptpp? -67.86 118.27 10.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -178.11 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' C ' ' HB3' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -173.43 -177.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.81 83.38 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.43 94.07 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 170.83 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -47.82 72.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -47.13 -48.82 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -82.26 116.34 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 71' ' ' TYR . 3.0 mm? -102.68 118.62 37.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.79 164.98 28.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.83 143.6 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 pp -106.96 140.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.15 179.66 18.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.2 p -176.43 87.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.77 61.09 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -112.46 167.57 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 44' ' ' THR . 44.0 p90 -110.56 136.93 48.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -99.06 165.89 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 2.9 pp20? -86.85 147.19 25.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 11.9 mttt 168.36 51.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.5 t -119.41 158.58 25.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 49' ' ' SER . 2.5 ttt85 82.18 66.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 51' ' ' THR . 8.9 t -163.21 57.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.66 ' HB1' ' OD1' ' A' ' 56' ' ' ASP . . . -108.31 -157.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -96.82 -29.9 13.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -165.88 45.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.34 98.75 0.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.66 ' OD1' ' HB1' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -166.82 120.48 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -44.14 94.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.3 t30 -101.45 96.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 62' ' ' TYR . 1.4 ttpp 71.66 -60.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 70.55 -64.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -126.61 160.74 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -131.1 171.02 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.26 130.01 30.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.37 155.1 26.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.68 132.85 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.1 p -82.34 109.9 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.54 93.32 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.32 94.72 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.78 98.13 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CD1' HD21 ' A' ' 37' ' ' LEU . 50.8 t80 -158.85 101.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.1 OUTLIER 164.05 102.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 72' ' ' ARG . 6.7 pt -154.32 114.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 173.58 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.76 -52.48 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -114.66 82.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.98 168.58 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.55 141.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 80' ' ' TYR . 31.9 mt -80.43 162.23 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 1.2 t80 -144.14 65.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.53 96.78 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.6 t -114.38 154.62 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 83' ' ' VAL . 14.2 p -128.14 106.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.08 121.28 5.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 85' ' ' VAL . 14.2 m -121.21 107.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.93 78.7 1.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.12 145.35 41.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.66 -149.22 5.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.14 129.38 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CE1' ' OG1' ' A' ' 102' ' ' THR . 1.2 p90 -112.02 157.3 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.5 ' HG2' ' CD2' ' A' ' 98' ' ' TYR . 13.1 mt-30 -125.94 137.81 53.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.609 ' O ' HG22 ' A' ' 93' ' ' THR . 22.1 m -86.08 80.17 8.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 92' ' ' THR . 0.6 OUTLIER 85.25 -15.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 93' ' ' THR . 2.0 tt0 86.68 29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.542 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER -84.81 -177.54 0.98 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.07 1.89 7.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 97' ' ' THR . 7.6 m -131.6 13.04 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.5 ' CD2' ' HG2' ' A' ' 91' ' ' GLN . 38.4 p90 -37.01 -31.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -73.18 62.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -69.98 -67.22 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.71 134.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.558 ' OG1' ' CE1' ' A' ' 90' ' ' PHE . 3.8 m -161.0 -88.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 102' ' ' THR . 69.1 p 53.01 74.13 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -133.01 176.76 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -169.1 137.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.32 175.25 45.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -135.12 118.72 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 m -141.51 128.84 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.441 ' N ' ' CD1' ' A' ' 109' ' ' TYR . 7.4 p90 -157.56 159.16 36.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -142.19 -124.77 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.58 113.55 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.652 ' O ' HD23 ' A' ' 113' ' ' LEU . . . 37.92 -139.18 0.57 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 165.79 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.72 159.41 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 116' ' ' ASN . 6.1 p90 -142.58 -154.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.533 ' O ' ' CE2' ' A' ' 115' ' ' PHE . 0.8 OUTLIER -88.74 118.03 68.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.9 40.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.4 ptt? 176.02 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -0.05 30.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 64.27 55.51 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.56 140.93 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.22 151.59 19.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 123' ' ' LEU . 3.1 tt -147.46 78.97 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -44.35 114.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -97.04 84.52 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.505 ' OG ' HG22 ' A' ' 141' ' ' ILE . 80.9 p -104.88 158.34 16.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.96 143.96 49.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.12 121.3 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -148.6 112.06 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 135' ' ' VAL . 28.1 p -103.65 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.93 71.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER -138.36 48.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.63 31.48 16.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.458 ' C ' HG12 ' A' ' 135' ' ' VAL . 2.4 m -149.6 -58.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 130' ' ' SER . 11.0 p 44.33 46.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.77 -32.53 11.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.728 HG12 ' H ' ' A' ' 138' ' ' GLY . 1.8 t -145.57 -173.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.728 ' H ' HG12 ' A' ' 137' ' ' VAL . . . -169.75 -90.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.504 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 1.8 t -175.02 136.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.491 ' CE3' ' O ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -116.2 140.89 48.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.042 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.505 HG22 ' OG ' ' A' ' 126' ' ' SER . 5.5 tt -108.33 167.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.485 ' HB2' ' CZ2' ' A' ' 140' ' ' TRP . . . -149.23 148.73 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.21 155.91 26.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 144' ' ' VAL . 7.5 p -147.7 63.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 127.21 156.99 9.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 13.5 p90 -175.57 45.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.51 132.72 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 55.9 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m 70.63 -61.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -133.65 112.69 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -120.88 106.24 11.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.09 115.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.8 p -121.14 125.65 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.63 109.45 0.67 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.16 -147.2 5.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -115.28 -167.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.49 110.67 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -152.15 163.15 39.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -116.18 142.24 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -143.08 112.65 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -178.03 -179.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 55.83 -87.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . 166.23 68.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 77.66 59.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.8 tpt -99.12 60.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 61.59 123.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.38 154.66 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -149.63 -64.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.97 -172.98 28.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.88 -161.85 33.12 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -120.26 161.76 20.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -133.21 130.27 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.5 161.63 21.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.19 147.27 27.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.4 138.75 54.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.34 155.54 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -178.7 47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -151.87 166.64 30.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.12 177.31 9.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.08 5.11 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -104.89 -12.27 16.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -158.63 98.01 1.73 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 79.74 2.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tp -161.06 86.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.86 166.75 14.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.85 122.88 53.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 pt -102.98 66.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 117.07 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.5 m -143.29 168.58 19.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 16.4 p90 -122.83 136.2 54.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.3 m -126.34 163.71 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 2.1 p90 -141.21 132.84 27.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.3 m -102.31 158.26 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.57 45.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -128.44 159.02 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t 76.99 -157.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 44.04 88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 m 63.41 85.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.81 -71.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.6 t -90.49 -76.78 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 t -165.88 31.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' TYR . . . -94.32 -26.83 12.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.69 -79.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' GLY . 42.4 m-85 -147.38 111.36 5.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 23.5 p-10 -175.4 108.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER 165.77 -75.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 79.05 -64.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -165.44 140.4 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -80.42 115.24 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.63 145.71 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.67 90.34 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.551 ' CG1' HG12 ' A' ' 85' ' ' VAL . 1.1 pt -83.4 109.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.38 138.54 53.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.13 103.3 7.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.51 108.35 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -169.62 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.23 111.62 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.76 152.91 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.11 70.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -109.57 -44.74 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 175.11 68.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.09 -74.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.67 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -171.67 55.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 83.51 -68.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.4 p -174.71 111.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.87 151.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -178.01 134.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.54 158.13 52.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 128' ' ' GLU . 33.7 m -102.3 177.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.54 121.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 107' ' ' PHE . . . -148.65 -173.53 19.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 85' ' ' VAL . 12.1 p -137.59 93.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -53.36 159.43 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.677 ' CE2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 t80 -158.06 72.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.88 39.69 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -135.31 121.03 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CE2' ' CE2' ' A' ' 87' ' ' TYR . 1.3 m-85 -157.43 175.97 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 92' ' ' THR . 2.8 mm-40 45.73 -171.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.811 HG23 ' OE1' ' A' ' 91' ' ' GLN . 45.4 p -55.07 -108.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.483 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 173.31 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -72.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.19 170.73 7.76 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 57.34 4.53 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -137.9 -53.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -99.23 79.99 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -49.06 172.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -40.55 -61.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.71 -72.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 100' ' ' ASN . 2.5 t -104.19 155.12 18.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.4 m -114.58 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -178.42 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -157.48 170.81 21.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.28 118.71 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.44 ' CE2' ' HA3' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -167.35 -172.93 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.976 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' N ' ' A' ' 130' ' ' SER . 0.1 OUTLIER 175.5 -154.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.77 -167.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.64 -118.51 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.08 143.98 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.08 108.4 2.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.23 79.99 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -111.1 87.01 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -144.64 175.71 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -104.79 114.63 63.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -120.28 -37.61 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.81 -80.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.8 t30 177.84 76.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.44 146.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.91 171.47 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 142' ' ' ALA . 0.2 OUTLIER -173.73 123.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.82 127.39 33.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -86.78 48.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t 39.62 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -157.97 93.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.567 ' HB2' HG21 ' A' ' 82' ' ' VAL . 4.9 pt-20 179.29 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.638 ' HB3' HG12 ' A' ' 137' ' ' VAL . 0.0 OUTLIER 168.47 151.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 129' ' ' GLN . 2.9 t 159.73 61.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.489 ' HG3' HG22 ' A' ' 132' ' ' ILE . 3.2 tpm_? -94.93 -70.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.489 HG22 ' HG3' ' A' ' 131' ' ' ARG . 0.8 OUTLIER 179.29 38.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -42.04 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.532 ' C ' HG23 ' A' ' 135' ' ' VAL . 36.1 m -133.26 8.39 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.532 HG23 ' C ' ' A' ' 134' ' ' SER . 3.6 t 77.45 -56.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -160.41 96.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.665 HG22 ' H ' ' A' ' 138' ' ' GLY . 8.7 p -117.2 176.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.665 ' H ' HG22 ' A' ' 137' ' ' VAL . . . -179.56 -157.32 19.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.1 m -98.13 108.49 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.403 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.688 ' O ' HD13 ' A' ' 141' ' ' ILE . 0.0 OUTLIER -101.84 74.7 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.005 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 140' ' ' TRP . 23.4 mm -141.89 166.92 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 123' ' ' LEU . . . -114.65 83.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.36 138.2 21.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.48 103.39 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.11 118.12 4.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -154.82 117.47 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.73 155.7 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.47 ' H2 ' HG12 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 3' ' ' SER . 4.5 m 57.71 -90.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.428 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 2' ' ' THR . 39.6 t -159.22 98.24 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 4' ' ' THR . 1.5 m 47.07 84.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 p -125.43 39.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.421 ' N ' ' HA3' ' A' ' 145' ' ' GLY . 2.2 p -138.85 161.96 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.04 126.3 2.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.42 -153.9 6.72 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' H ' HG21 ' A' ' 141' ' ' ILE . 0.8 OUTLIER -117.85 124.29 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.57 102.44 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.22 106.79 10.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.81 177.38 7.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 178.69 154.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.44 174.12 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -105.99 121.81 44.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.75 -40.66 2.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.76 -52.82 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 66.0 83.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -160.4 134.1 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 -59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -69.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.75 -149.26 18.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.61 -91.16 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -168.22 153.5 6.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -136.7 162.47 33.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.15 148.68 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 128.34 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 28' ' ' TYR . 43.4 p90 -109.83 104.85 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 175.06 -166.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -179.09 161.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -171.96 111.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.07 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.449 ' O ' ' ND2' ' A' ' 34' ' ' ASN . 8.2 t70 174.4 -64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 33' ' ' ASP . 0.5 OUTLIER -176.01 84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.04 93.39 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.88 4.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tp -173.41 135.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.41 178.54 24.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.0 t -127.71 145.86 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.4 76.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.77 119.31 4.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.0 p -123.47 173.41 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -129.31 129.1 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -117.68 128.64 55.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.9 136.42 40.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 m -91.36 99.21 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -171.02 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 52.67 -170.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m 69.22 87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 177.94 80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.471 ' OG1' ' CZ ' ' A' ' 57' ' ' TYR . 52.2 m 62.06 138.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.1 -60.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -52.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.986 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.19 64.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.11 45.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -177.03 99.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CZ ' ' OG1' ' A' ' 51' ' ' THR . 2.2 m-85 -115.95 101.4 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 119.8 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -103.77 77.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.62 99.07 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.09 114.72 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -163.11 -156.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -177.83 135.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.2 129.41 9.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -90.28 87.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 10.1 t -95.68 149.64 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 66' ' ' THR . . . 165.32 88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.71 162.56 15.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.96 36.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.7 86.23 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -177.41 165.72 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.91 -68.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 73' ' ' ILE . 3.0 tp -161.92 110.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.44 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t0 -113.89 -54.54 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -169.89 88.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.007 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 61.35 170.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.0 t -40.63 156.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.4 tt -115.78 159.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 7.6 p90 -83.57 167.87 16.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 156.25 69.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.5 t -81.11 134.14 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.9 t -126.17 92.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.88 -173.51 30.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.65 137.94 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.45 113.14 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -173.51 167.13 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 122.73 93.62 1.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.44 127.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 178.02 110.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.96 116.33 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' GLU . 7.3 m 74.04 -66.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.442 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 19.2 m 68.28 -65.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 95' ' ' TYR . 1.3 mt-10 164.82 63.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.581 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 0.6 OUTLIER 175.03 159.43 0.37 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.53 3.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.451 1.764 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' LYS . 4.1 t -122.9 -41.89 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 100' ' ' ASN . 16.9 m-85 55.08 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' THR . 18.0 mttm -65.25 76.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.8 t-20 -105.78 57.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -57.89 108.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 102' ' ' THR . 12.9 t -172.67 60.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.449 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 m -100.48 166.94 10.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -138.35 166.18 24.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.68 169.06 14.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.59 175.93 21.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.42 137.23 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 0.783 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -115.62 109.07 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -171.48 156.24 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.91 -119.05 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.19 140.32 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.31 138.31 9.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.86 86.02 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.57 92.63 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -136.51 174.72 10.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -103.74 111.15 65.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.39 -62.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.47 -73.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.459 ' OD1' HG21 ' A' ' 5' ' ' VAL . 22.4 t-20 -165.38 82.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.69 136.72 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.01 146.2 27.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -158.96 155.84 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -133.34 130.38 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.91 83.38 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.16 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 127' ' ' TYR . 37.2 p90 -130.63 39.95 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -158.71 125.76 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -133.36 136.02 45.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.26 141.96 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.4 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 2.7 mtt180 49.27 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.535 ' O ' HG22 ' A' ' 132' ' ' ILE . 5.6 mt -98.91 67.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.2 mtp180 78.54 -50.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -34.97 -50.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.4 ' HB ' ' CG ' ' A' ' 131' ' ' ARG . 40.9 t -123.58 92.83 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.52 116.72 26.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 137' ' ' VAL . 55.2 t -145.39 78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.95 -138.47 7.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 5.4 t -175.87 156.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.368 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -168.94 136.53 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.653 HG23 ' N ' ' A' ' 142' ' ' ALA . 0.9 OUTLIER -169.73 -169.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.653 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -112.24 82.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.53 148.82 44.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.4 p -173.98 121.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.421 ' HA3' ' N ' ' A' ' 6' ' ' THR . . . -107.21 -123.64 5.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 4' ' ' THR . 4.7 m-85 -133.69 164.22 27.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 147' ' ' ARG . 5.5 ptt-85 -121.78 117.04 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 38.18 77.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.58 49.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.63 135.42 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -117.54 133.59 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' THR . 4.7 t -87.21 93.37 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.3 66.95 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.96 156.08 26.78 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.91 -172.02 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.0 118.93 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.24 113.19 14.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -153.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.86 -154.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.93 39.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.38 18.17 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.18 44.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' MET . 1.0 OUTLIER -178.2 -56.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' MET . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 79.64 -52.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' MET . 2.2 p-10 -92.36 -52.79 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.15 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -168.52 98.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.77 174.36 18.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.49 -139.44 10.87 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -100.43 159.47 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.7 49.01 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 40' ' ' ILE . 3.4 mt -174.59 -164.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER 170.7 -87.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -177.61 144.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.807 ' NH1' HG12 ' A' ' 39' ' ' VAL . 4.1 mmt85 -149.07 -175.7 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 30' ' ' TYR . 8.5 p90 -104.21 128.83 51.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.58 142.8 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -154.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.03 -42.75 11.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -126.46 55.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 m -82.27 119.62 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -129.54 108.4 10.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.92 135.79 9.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' NH1' ' A' ' 29' ' ' ARG . 36.9 t -102.38 136.38 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.673 HG22 ' CA ' ' A' ' 68' ' ' GLY . 2.4 tp -125.13 129.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.04 85.81 1.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.45 104.29 13.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -160.12 166.81 29.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.3 p -123.68 147.58 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -85.84 159.63 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 60' ' ' ASN . 3.7 m -81.93 80.23 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.1 170.14 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mmtp 64.23 -101.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.1 p 83.77 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 59.99 115.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.5 m -94.93 -45.02 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.07 -164.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -100.4 -22.42 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.66 39.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.04 -43.11 1.68 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.98 101.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.86 142.22 57.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -129.7 109.36 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 166.48 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.562 ' HA ' HG21 ' A' ' 46' ' ' THR . 1.4 m120 -97.31 131.8 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -171.67 84.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -80.4 151.2 29.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -164.65 57.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.28 136.34 12.96 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.463 HG22 HG12 ' A' ' 85' ' ' VAL . 5.5 tp -123.93 152.52 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.79 141.58 23.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.63 98.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.673 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -73.72 -51.18 9.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.3 Cg_endo -74.99 147.02 33.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.25 165.26 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -178.63 172.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 73' ' ' ILE . 2.9 ttt180 68.13 144.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 48.2 -175.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.4 t-20 77.58 151.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.13 -61.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.5 m95 -141.96 67.42 1.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 76' ' ' TRP . . . 178.86 -173.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -128.42 128.01 43.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.6 mt -129.24 115.92 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -178.05 127.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.86 157.87 50.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.9 105.04 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 p -112.34 125.73 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.38 -162.5 11.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 85' ' ' VAL . 7.7 p -150.17 96.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.51 135.2 28.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 3.3 t80 -91.79 148.58 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CE1' ' A' ' 87' ' ' TYR . . . -42.02 103.55 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 53.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -151.52 94.23 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 178.43 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.96 136.47 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.76 125.13 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -176.38 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.626 ' CD1' HG23 ' A' ' 97' ' ' THR . 1.7 p90 -79.78 159.38 71.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.422 ' O ' ' HB ' ' A' ' 97' ' ' THR . 18.3 Cg_endo -74.97 63.59 5.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.626 HG23 ' CD1' ' A' ' 95' ' ' TYR . 2.1 t -178.71 36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.432 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -37.17 148.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 3.8 tptp -96.89 -65.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 16.1 t30 78.18 -57.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.17 147.82 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.4 m -153.65 140.86 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 t -122.11 78.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.28 116.12 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -112.75 149.4 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -98.46 157.36 20.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -124.88 110.2 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -117.61 136.68 53.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -161.59 137.79 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -149.72 -121.43 1.08 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -168.56 179.4 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.87 127.44 5.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tp -143.62 82.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -86.19 130.15 34.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -92.89 155.4 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -120.15 82.33 29.96 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.61 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 7.5 ttt 69.51 40.77 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -75.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -177.38 45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.84 143.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.31 121.37 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.23 164.35 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -179.51 106.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -147.53 176.79 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 86.7 p -177.75 166.1 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -114.55 113.56 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -97.11 153.32 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -128.13 139.77 52.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.617 ' HB2' HG21 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -133.63 160.31 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.03 74.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 135' ' ' VAL . 6.9 mm -104.64 71.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.93 57.76 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.61 74.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 132' ' ' ILE . 88.3 t -140.57 137.56 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.09 148.52 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.617 HG21 ' HB2' ' A' ' 130' ' ' SER . 0.5 OUTLIER -133.5 68.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -69.96 85.4 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 98.0 m -93.07 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -163.58 96.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 142' ' ' ALA . 1.2 tp -146.71 -179.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.52 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -145.4 122.32 11.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.57 166.18 12.54 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.37 121.47 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -104.16 54.1 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.15 111.14 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 131.21 43.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 t -74.11 173.88 9.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -134.63 83.09 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 t -101.08 149.28 24.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' C ' HG23 ' A' ' 6' ' ' THR . 9.5 p -145.74 146.19 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 5' ' ' VAL . 75.9 p -150.24 168.29 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.77 129.85 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.12 134.63 12.17 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 9' ' ' TYR . 9.1 p90 -176.3 126.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.13 174.39 14.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.0 106.98 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.2 p -78.47 153.25 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -131.85 86.86 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.542 ' HB2' HG22 ' A' ' 137' ' ' VAL . . . -110.46 114.97 28.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 39.09 40.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -127.06 1.82 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -166.67 60.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.9 mtm 61.2 95.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -156.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -122.49 84.05 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.45 166.88 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.89 ' O ' HG23 ' A' ' 46' ' ' THR . . . -116.42 110.35 2.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.83 103.98 1.5 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.34 152.87 30.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -179.25 107.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.71 159.89 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -130.55 163.92 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -143.84 108.92 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 144.56 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 30' ' ' TYR . 18.6 p90 -129.82 77.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -124.19 144.63 49.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -170.36 46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -160.64 36.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 53.26 81.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p 173.2 93.8 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.18 2.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 101.41 3.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.14 -161.76 17.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -126.13 152.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 40' ' ' ILE . 1.8 tt -94.33 92.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.91 57.53 0.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p -108.79 148.56 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -151.19 147.6 27.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 m -104.26 167.77 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 4.8 p90 -167.48 53.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -172.26 163.54 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.57 -165.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 174.61 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 t -133.63 135.01 43.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -179.99 143.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 57' ' ' TYR . 43.4 p -110.34 -143.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.56 -61.68 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.33 59.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m 64.41 64.67 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.34 -57.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -109.67 109.02 19.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HA ' HG22 ' A' ' 51' ' ' THR . 15.8 m-85 -111.15 138.41 47.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.5 m120 64.29 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.1 pttp 46.2 48.11 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -143.94 123.7 13.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 178.01 95.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -90.4 88.15 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 107.41 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.83 -174.04 24.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.59 146.03 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -119.54 161.13 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.8 113.73 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.03 82.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.123 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.64 14.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.28 146.83 29.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -130.03 177.94 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -74.1 -176.31 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -66.63 138.02 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -165.92 -50.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.0 -57.31 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.605 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER 177.54 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 77.36 -64.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -70.33 132.12 45.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -109.28 116.36 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.08 157.38 18.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.56 47.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 82' ' ' VAL . 10.0 p -88.18 79.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.93 76.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.11 114.0 3.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.2 t -101.97 89.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.8 155.21 25.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.404 ' CE1' ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -137.99 -158.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.13 -163.7 32.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -147.79 164.25 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 16.3 p90 -112.86 128.8 56.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.1 37.81 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 98' ' ' TYR . 20.3 m -64.4 88.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 93' ' ' THR . 10.0 t -123.92 96.86 5.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -155.71 -44.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.23 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.531 ' CD2' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER -95.45 -179.68 0.99 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.531 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.0 -25.64 11.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.88 80.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.548 ' HB3' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -131.32 142.11 50.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 138.93 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -43.17 75.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 t70 51.7 73.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 102' ' ' THR . 15.4 t -156.56 41.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.0 t -153.07 136.12 15.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -159.34 -60.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -167.03 150.43 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 87' ' ' TYR . . . -132.41 -128.48 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -167.19 117.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -170.28 151.92 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.62 105.92 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.137 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.24 -150.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.312 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 48.43 44.06 28.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 tp -151.72 112.81 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 0.797 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -126.63 139.41 53.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.13 144.55 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 9.2 p-10 -168.33 136.83 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 121' ' ' VAL . 18.4 Cg_endo -74.98 -71.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 174.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.01 -87.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -171.06 34.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 117' ' ' PRO . 6.1 p -99.59 144.87 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -164.69 107.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.65 171.07 10.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.5 102.59 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.447 ' CG ' HG23 ' A' ' 141' ' ' ILE . 0.3 OUTLIER 173.41 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.46 -65.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -126.74 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.81 73.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.51 176.32 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.17 112.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -146.73 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 134' ' ' SER . 13.4 tt -91.6 46.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.97 25.7 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 132' ' ' ILE . 0.2 OUTLIER -112.06 -27.73 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 70.9 t -136.13 146.54 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.57 112.42 17.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 14' ' ' ALA . 44.2 t -91.74 156.49 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -133.67 64.72 0.59 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.0 m -94.61 108.49 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -95.02 95.27 8.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.447 HG23 ' CG ' ' A' ' 125' ' ' PHE . 9.5 tp -90.77 150.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -160.66 118.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -90.16 102.16 2.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 73.4 t -92.73 123.58 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 168.17 -165.65 38.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -167.87 165.63 13.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.55 143.19 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 31' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' SER . 39.5 m 44.72 72.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER 159.94 44.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 HG23 ' CD ' ' A' ' 29' ' ' ARG . 3.2 t -165.47 39.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 148' ' ' PHE . 29.1 t -93.15 136.14 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -80.01 170.9 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.789 ' HA2' HD22 ' A' ' 26' ' ' LEU . . . -138.34 148.81 20.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.0 145.99 17.26 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 174.2 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 141' ' ' ILE . . . -160.31 -173.89 4.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -126.04 143.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -115.88 154.66 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.61 136.69 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.91 143.63 42.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -62.39 112.12 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.29 76.25 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.34 -50.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.41 96.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -151.2 -170.02 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -115.15 169.46 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.32 159.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 45' ' ' TYR . . . -129.91 -150.92 7.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 45' ' ' TYR . . . -160.17 117.8 0.79 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -145.25 106.98 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -146.91 98.81 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.789 HD22 ' HA2' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -176.94 166.97 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 12.3 tptt -167.08 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 123.43 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' CD ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -89.15 125.35 35.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.91 96.91 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 8.3 tt0 -155.38 101.72 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -172.8 73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 173.39 -73.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 173.35 80.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.98 115.89 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.19 5.98 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -120.16 111.6 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.1 -126.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG22 ' HA2' ' A' ' 68' ' ' GLY . 7.4 m -80.4 -152.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.522 ' CG1' ' O ' ' A' ' 40' ' ' ILE . 1.4 tt 177.36 39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 175.95 93.46 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -143.31 174.41 10.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -141.73 168.19 20.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -88.08 152.59 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.616 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.7 p90 -106.82 98.62 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 46' ' ' THR . 1.2 m -104.9 88.74 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 mm-40 -80.59 175.83 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 3.6 tmtt? 86.05 170.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.42 137.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.38 -40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.09 127.84 5.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.08 -57.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -156.72 -57.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -102.87 58.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.86 69.6 0.38 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -106.49 95.76 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 26.7 p90 -118.72 128.55 54.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -40.47 155.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 61' ' ' GLN . 1.9 tttt -70.8 67.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.96 -71.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 tt0 -165.01 -178.56 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.32 160.55 16.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.63 155.81 17.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 139.75 4.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.732 ' H ' HD13 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -125.06 141.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.345 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -103.72 112.73 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.39 117.58 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.664 ' HA2' HG22 ' A' ' 39' ' ' VAL . . . -47.59 -48.25 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.2 Cg_endo -74.99 136.01 19.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 -168.59 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -170.02 175.22 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 51.23 79.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.754 HG21 ' H ' ' A' ' 77' ' ' ALA . 7.2 tp -161.69 158.01 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.11 -46.87 79.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -118.76 -87.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -155.49 95.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.754 ' H ' HG21 ' A' ' 73' ' ' ILE . . . -167.06 -161.64 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.857 ' O ' HG23 ' A' ' 79' ' ' ILE . 53.9 p 57.03 -164.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.857 HG23 ' O ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -168.4 40.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -81.08 121.82 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.53 51.65 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.34 138.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.24 72.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 104.72 1.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.5 p -168.9 112.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.91 -149.21 5.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -151.67 148.51 28.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 154.47 79.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -80.16 -171.37 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -109.38 57.83 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 92' ' ' THR . 19.2 mm-40 -132.41 147.36 52.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER 167.98 -44.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.0 m 67.37 -74.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -123.09 -42.83 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -138.4 162.87 50.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.7 4.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 m -157.97 -44.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 100' ' ' ASN . 1.6 t80 -60.11 130.85 48.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt 64.93 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TYR . 46.3 t30 44.15 54.3 6.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -45.86 7.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -164.37 162.8 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 p -165.84 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.24 89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -179.47 49.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.61 139.15 10.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -165.67 142.02 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.4 p -116.01 144.91 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -177.15 125.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -178.26 -150.9 8.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.614 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . . . -132.97 146.31 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.545 ' HA3' HD11 ' A' ' 79' ' ' ILE . . . -131.41 -170.84 12.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' ' 112' ' ' GLY . 3.3 mp -145.16 178.87 7.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -154.79 120.08 5.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 114' ' ' GLN . 2.6 t80 162.13 133.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.6 m-20 164.55 81.53 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 122.17 7.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -82.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 -36.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.34 -55.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 122' ' ' ALA . 70.9 t -130.78 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.758 ' HB1' ' O ' ' A' ' 143' ' ' GLY . . . 161.23 86.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -156.9 84.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 1.7 m-20 -162.8 88.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -158.08 149.17 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.751 ' HB3' HD11 ' A' ' 79' ' ' ILE . 48.6 p -161.84 -165.27 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -141.65 115.85 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.53 170.85 13.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.8 163.79 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 131' ' ' ARG . 33.5 p -137.9 76.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 130' ' ' SER . 0.2 OUTLIER 161.76 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.4 pt -104.11 88.5 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 132' ' ' ILE . 5.6 mtm180 38.63 33.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.77 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.616 HG12 HG13 ' A' ' 137' ' ' VAL . 56.2 t -106.54 124.9 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -114.8 89.03 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.616 HG13 HG12 ' A' ' 135' ' ' VAL . 2.9 m -89.64 109.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.27 102.66 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.8 t -118.17 165.85 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -143.83 109.16 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 107.986 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 124' ' ' ASP . 0.1 OUTLIER -86.68 140.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.568 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -87.11 96.33 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLY . . . . . 0.758 ' O ' ' HB1' ' A' ' 122' ' ' ALA . . . -49.1 138.63 15.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 142' ' ' ALA . 3.1 p -178.49 84.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 121' ' ' VAL . . . -114.1 119.69 4.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -165.51 43.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 175.12 116.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.479 ' HA ' ' CG2' ' A' ' 5' ' ' VAL . 44.3 p90 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -140.03 151.48 45.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -158.32 112.04 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 147' ' ' ARG . 43.0 p -82.36 170.45 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -103.17 83.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -91.6 128.02 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.16 106.59 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.44 173.1 21.28 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.66 137.82 45.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.629 ' HB2' ' CG1' ' A' ' 141' ' ' ILE . . . -122.58 150.11 43.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -103.08 112.06 24.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -84.72 112.56 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.46 ' O ' HG22 ' A' ' 137' ' ' VAL . 0.6 OUTLIER -107.47 152.0 24.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.18 -176.3 4.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.55 -71.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.24 69.89 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.5 48.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.69 51.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 176.08 146.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.94 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 119.39 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.17 44.44 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -81.52 162.66 43.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 23' ' ' GLY . 69.0 m-85 -160.02 145.03 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -132.96 129.8 38.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -147.74 166.2 28.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER 34.29 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.551 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 76.5 t80 -133.2 39.68 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -176.77 98.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -154.26 120.31 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -171.58 166.79 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.53 -177.72 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -116.93 61.77 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 178.33 -54.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.96 118.75 64.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.15 32.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.36 152.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.82 110.36 2.0 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -149.8 77.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 29' ' ' ARG . 4.3 tp -174.27 165.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 65.39 39.38 95.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.78 39.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 27' ' ' LYS . 29.9 m-85 -131.48 104.42 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 44' ' ' THR . 13.6 t -146.8 90.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -145.41 145.89 31.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.6 p -83.88 136.47 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 tm-20 -113.33 82.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 169.05 109.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 5.0 p 169.95 113.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.056 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 57' ' ' TYR . 35.8 ttt180 178.35 102.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.415 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 1.7 p -38.87 -46.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . 67.18 54.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -157.05 34.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.57 20.65 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.2 -60.71 1.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 167.33 178.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 50' ' ' ARG . 4.8 m-85 -106.86 118.88 37.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' SER . 55.7 m-20 -79.19 154.38 29.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.97 60.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -45.4 -62.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.7 -170.69 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 179.73 -165.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 49.1 p90 -117.43 140.54 49.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.49 -118.92 1.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 tp -153.42 123.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -108.69 133.66 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.38 111.02 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.73 113.69 4.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 63.14 5.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.49 97.47 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -145.94 94.05 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.56 152.38 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -110.74 -62.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.7 -57.12 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.75 -56.97 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.15 69.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.97 71.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.8 p -76.66 90.98 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.1 pt -137.56 107.34 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 48.4 m-85 -163.62 174.25 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.32 177.26 0.79 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.9 147.73 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.1 p -133.56 144.65 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.42 123.06 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -109.05 98.05 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.14 164.81 54.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.52 167.25 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.07 71.7 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.73 79.15 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.439 ' CE1' ' ND2' ' A' ' 100' ' ' ASN . 26.4 p90 -105.14 178.62 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.2 OUTLIER 73.55 -57.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 92' ' ' THR . 3.3 t -58.64 84.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.517 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 30.8 m -87.63 -41.12 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 93' ' ' THR . 0.3 OUTLIER 159.63 43.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.537 ' O ' ' CE1' ' A' ' 98' ' ' TYR . 5.6 m-85 -105.93 170.79 5.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.42 3.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 m -157.66 -51.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 27.5 m-85 47.12 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' TYR . 1.2 pttm 39.07 88.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' ND2' ' CE1' ' A' ' 90' ' ' PHE . 10.6 t30 -69.41 -54.0 16.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -177.1 89.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -55.25 152.88 7.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.7 -63.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 52.27 92.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.31 39.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.82 79.24 0.89 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -79.97 137.33 36.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 107.45 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.055 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.55 115.81 20.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -141.96 -150.77 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.84 133.11 19.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.28 151.28 28.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 115' ' ' PHE . 3.5 tt -147.48 101.93 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.12 123.37 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 113' ' ' LEU . 46.2 m-85 -86.38 167.59 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.2 122.49 69.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.75 38.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.2 ttt -151.53 -65.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -109.73 -45.42 3.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 179.3 71.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 121' ' ' VAL . 7.3 p -143.27 108.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.73 70.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 128.83 42.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.477 ' O ' ' CD2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -138.28 76.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 141' ' ' ILE . 1.2 m-85 -164.27 174.3 11.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t 179.52 -81.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.15 169.63 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.0 120.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -87.14 139.12 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.96 105.74 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.956 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.28 89.97 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.436 ' N ' HG12 ' A' ' 135' ' ' VAL . 30.3 mm -79.92 86.5 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.98 54.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.61 78.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.62 HG13 HG23 ' A' ' 137' ' ' VAL . 8.2 p -156.12 140.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 101.55 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.62 HG23 HG13 ' A' ' 135' ' ' VAL . 96.1 t -121.98 115.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -91.13 145.32 17.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 17.5 m -134.22 120.79 20.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -155.09 112.07 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.629 ' CG1' ' HB2' ' A' ' 10' ' ' ALA . 2.7 mp -129.08 150.07 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.6 95.89 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.44 146.3 18.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.4 p -171.38 155.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.82 -161.41 29.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 165.25 17.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.455 ' HA ' HG22 ' A' ' 4' ' ' THR . 3.7 ptp180 -90.41 148.0 23.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 84.2 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 30' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.9 p 43.59 -146.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.63 74.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -97.48 130.47 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.0 t -106.23 103.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -112.63 114.01 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.9 132.34 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.89 150.49 21.41 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -91.53 136.91 32.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.71 117.29 33.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -171.16 125.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -168.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 152.69 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HB1' HG12 ' A' ' 137' ' ' VAL . . . -172.74 146.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.7 102.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.0 -33.89 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.76 74.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.9 mtt 71.11 97.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -149.89 135.11 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.05 98.62 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 92.24 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.19 108.84 3.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.88 168.78 23.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -130.31 135.04 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.71 134.97 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.21 56.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -66.42 138.94 57.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.62 118.49 30.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -85.92 161.64 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TYR . . . . . 0.668 ' HA ' ' HB3' ' A' ' 1' ' ' ALA . 34.9 t80 -108.24 140.23 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -80.44 154.69 27.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 136.54 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.27 -38.74 91.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 176.46 39.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.66 127.64 16.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.62 71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.79 117.44 3.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -138.12 153.77 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -177.57 179.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 40' ' ' ILE . . . -111.71 -134.98 6.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.16 141.43 15.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.37 114.89 29.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -120.31 -179.94 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.84 97.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -82.5 148.42 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.36 -179.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.9 112.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 51' ' ' THR . 4.6 t -176.45 -62.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' CG ' ' C ' ' A' ' 49' ' ' SER . 0.0 OUTLIER 38.14 32.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 49' ' ' SER . 9.6 t -152.99 70.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.758 ' CB ' HG21 ' A' ' 93' ' ' THR . . . -80.95 -84.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 54' ' ' SER . 10.7 t -147.77 26.91 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 84.44 64.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.37 -65.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -169.78 -74.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -148.11 -176.05 5.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -118.53 130.4 55.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -105.55 118.52 36.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -177.83 95.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -143.0 121.34 12.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 87' ' ' TYR . 10.6 m-85 -165.48 165.03 19.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -146.75 156.15 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 65' ' ' ILE . . . 98.71 107.39 2.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' GLY . 4.5 pt -151.68 41.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -158.98 151.34 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -178.27 86.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.5 126.48 0.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 132.92 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.91 166.89 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -57.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 73' ' ' ILE . 8.4 mt 67.5 56.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -74.05 -156.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 76' ' ' TRP . 0.3 OUTLIER -90.96 -33.22 15.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -152.85 47.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 108.004 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.98 122.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.23 -62.84 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 tt -95.34 41.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 8.8 p90 -80.48 149.44 30.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 42.13 83.18 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.812 HG22 ' CD2' ' A' ' 109' ' ' TYR . 4.4 m -105.82 168.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.518 HG22 ' CE1' ' A' ' 107' ' ' PHE . 88.8 t -110.36 123.38 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.48 173.7 30.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 85' ' ' VAL . 56.0 t -137.96 64.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 161.22 17.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.544 ' HB2' ' CE1' ' A' ' 62' ' ' TYR . 7.9 m-85 -113.95 132.87 55.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.76 136.61 13.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.95 156.04 33.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 134.09 35.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -161.22 162.46 31.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.507 ' O ' ' C ' ' A' ' 93' ' ' THR . 2.4 m 81.63 151.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.758 HG21 ' CB ' ' A' ' 52' ' ' ALA . 10.0 t 29.1 55.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -130.29 -44.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -147.67 168.73 10.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.73 10.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 t -146.12 34.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 58.86 163.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.72 -61.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 52.2 t30 62.63 59.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.08 166.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.0 p -88.72 -171.2 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.391 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -151.05 121.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.966 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.26 -66.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 16.6 p90 -175.33 134.07 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.9 157.6 20.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CE1' HG22 ' A' ' 83' ' ' VAL . 1.6 t80 -179.06 120.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.39 150.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.812 ' CD2' HG22 ' A' ' 82' ' ' VAL . 1.5 t80 -170.5 -147.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -140.85 -94.24 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.092 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' GLY . . . 177.61 162.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -119.91 125.15 6.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 124.0 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -86.64 114.13 23.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 122' ' ' ALA . 43.8 p90 -100.57 -172.69 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -132.48 106.45 13.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.72 32.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.1 ttt -106.57 -50.29 3.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.94 -47.51 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 169.74 83.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.3 m -145.13 166.55 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . . . -140.13 131.06 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 23.6 mt -133.06 88.66 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -142.96 104.97 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' A' ' 141' ' ' ILE . 35.7 p90 -171.7 147.69 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 59.3 p -173.05 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.439 ' N ' ' OG ' ' A' ' 126' ' ' SER . 38.1 p90 -176.26 158.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLU . . . . . 0.53 ' OE1' HG21 ' A' ' 139' ' ' THR . 4.8 pt-20 -138.36 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.464 ' HB3' ' CG1' ' A' ' 135' ' ' VAL . 15.8 mm-40 -129.74 149.61 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 94.5 p -171.84 96.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -177.86 -155.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.8 tt -148.65 93.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 81.99 -44.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' ASP . 14.8 m -82.46 8.46 11.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 129' ' ' GLN . 21.6 t -38.72 98.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' SER . 14.0 t70 -150.67 52.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.596 HG12 ' HB1' ' A' ' 14' ' ' ALA . 15.1 m -115.31 137.05 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -124.02 177.5 16.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.53 HG21 ' OE1' ' A' ' 128' ' ' GLU . 5.0 t -172.73 163.5 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 0.736 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -147.06 72.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 125' ' ' PHE . 14.4 tt -85.2 155.76 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.01 73.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -43.53 115.77 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.06 110.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -179.81 -132.88 1.88 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -177.72 167.36 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 147.74 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.8 m -74.59 139.89 43.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.6 101.47 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -116.12 110.48 18.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 5' ' ' VAL . 57.8 t -93.71 72.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.9 p -97.3 67.87 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.51 165.01 23.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.36 -95.42 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.78 126.49 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.91 141.67 35.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.4 157.71 16.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -118.51 114.38 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.22 111.41 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -119.61 -165.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -117.71 -58.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.87 15.41 5.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 12.9 mt-30 -90.0 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 63.06 70.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -140.08 121.2 14.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -50.8 135.5 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 ttp -150.16 152.03 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.28 148.95 6.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.94 -91.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -159.3 114.85 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -103.55 103.49 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 pp -117.3 114.54 23.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -65.66 143.18 57.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 11.2 t80 -97.94 116.31 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 1.0 OUTLIER -98.48 127.87 44.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -135.72 93.76 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.74 146.76 27.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -168.9 59.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.56 84.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -176.46 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.63 123.36 7.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.43 4.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.35 -177.17 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . -163.37 37.21 0.32 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 68' ' ' GLY . 1.8 p 177.53 135.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -175.31 42.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.03 140.64 3.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.711 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -139.41 141.72 37.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.03 136.22 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 t -166.69 136.98 3.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -154.49 158.23 39.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 p -85.73 172.3 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -151.7 177.39 10.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.1 OUTLIER 65.1 -91.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER 81.42 160.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 70.1 134.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 p -77.66 -17.82 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 40.57 34.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.82 -51.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.6 p -92.72 -0.62 57.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.63 75.73 0.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -144.38 129.45 18.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HB3' ' CG2' ' A' ' 93' ' ' THR . 0.3 OUTLIER -89.96 92.87 9.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -92.87 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.07 57.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.8 109.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -150.15 98.54 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -98.31 150.9 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -139.7 71.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.72 86.54 0.82 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER -137.0 70.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.4 HG23 HG12 ' A' ' 83' ' ' VAL . 8.8 t -161.58 40.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ALA . . . . . 0.833 ' HB1' ' O ' ' A' ' 81' ' ' GLY . . . -51.48 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' HG22 ' A' ' 39' ' ' VAL . . . 119.88 -175.39 15.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.96 41.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.75 -174.9 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.54 117.55 29.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.32 151.7 27.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.428 ' O ' HD12 ' A' ' 73' ' ' ILE . 2.3 pp -46.61 123.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.73 -44.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.55 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 30.5 m-20 -87.29 -67.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -170.73 69.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.22 171.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.23 115.91 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.32 57.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 80' ' ' TYR . 79.6 t80 -173.7 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.833 ' O ' ' HB1' ' A' ' 67' ' ' ALA . . . -154.21 36.4 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.2 117.54 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 66' ' ' THR . 94.3 t -142.77 150.02 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.79 129.69 1.98 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 m -95.43 103.64 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.77 166.56 12.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.44 97.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.53 -162.76 13.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -178.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.14 95.32 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.99 -166.65 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 93' ' ' THR . 30.2 p -124.55 -150.15 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 57' ' ' TYR . 2.1 p -152.3 121.62 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.53 -25.8 24.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.506 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER 172.98 173.49 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . 0.506 ' HD2' ' CG ' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -75.04 55.94 4.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 98' ' ' TYR . 1.8 t -134.07 -51.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.51 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -167.68 57.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 31.51 -144.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.455 ' N ' ' CG ' ' A' ' 99' ' ' LYS . 56.8 t30 -111.01 49.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 56.65 171.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -170.3 147.5 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.3 p -177.22 74.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.73 140.97 16.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -120.46 171.8 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.76 149.86 21.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -119.8 138.43 53.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.23 163.32 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -162.34 117.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.17 -149.13 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -164.4 175.38 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.14 69.23 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.38 120.41 25.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.47 112.29 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -168.17 120.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 172.31 136.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.66 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.9 mtt -128.1 160.98 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.3 pt-20 -44.27 -42.17 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 6.4 m-20 167.22 42.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.96 155.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.18 171.0 14.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 pp -123.41 149.36 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.96 114.76 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.47 131.63 34.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 90.3 p -119.08 92.14 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -104.73 86.78 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -81.19 157.04 25.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -158.96 74.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -82.06 -171.7 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.25 48.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.51 92.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.23 41.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.05 75.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.62 175.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -116.31 102.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.84 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.36 155.28 16.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.4 t -169.25 139.59 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.4 120.72 21.3 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.19 132.58 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -115.47 87.99 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.79 138.84 22.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.8 t -147.47 121.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -166.02 -162.16 16.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.05 136.66 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.06 141.58 34.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 m 68.07 -72.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.42 69.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.658 HG22 ' H ' ' A' ' 5' ' ' VAL . 3.5 m -143.06 -169.71 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.658 ' H ' HG22 ' A' ' 4' ' ' THR . 21.8 m -94.97 140.49 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 28' ' ' TYR . 13.4 t -151.56 111.38 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.16 -163.41 34.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.6 -160.83 9.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.512 ' H ' HD11 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -101.13 -161.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' MET . . . -125.51 87.54 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -118.42 122.17 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -179.43 168.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.42 116.56 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.01 118.36 36.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 137.61 48.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.17 56.47 12.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.08 -54.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.5 ttm 59.11 68.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -110.58 106.67 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -71.05 73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 29.56 76.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.42 33.53 6.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.65 157.39 22.56 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 p90 -159.35 144.96 16.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.31 124.99 50.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -137.27 76.55 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -133.4 -168.23 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.648 ' HA ' HG22 ' A' ' 6' ' ' THR . 15.4 p90 -137.41 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -135.18 -166.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.36 115.61 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -162.47 58.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 168.61 51.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -178.55 51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 43.14 76.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.97 167.18 13.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.919 HD12 ' HB1' ' A' ' 70' ' ' ALA . 2.6 pt? -127.4 177.94 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.51 ' N ' ' HB3' ' A' ' 70' ' ' ALA . . . 58.04 33.42 69.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.1 p -114.08 113.03 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 tt -171.41 144.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.66 65.82 0.47 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 151.55 21.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.89 132.36 53.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 44' ' ' THR . 1.9 m -118.46 74.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -82.82 150.2 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' GLN . 87.7 m -110.05 167.55 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -177.88 119.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 156.38 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -98.08 153.14 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -130.65 111.77 12.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 18.7 p 36.5 -95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . 71.99 63.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.32 -56.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -63.46 -45.74 89.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.34 61.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.94 131.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 18.4 p90 -150.32 121.93 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.37 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -163.72 -178.46 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.31 91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -161.84 108.78 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -179.36 39.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CG ' ' HB2' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -125.06 158.23 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.38 85.71 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.53 138.14 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -156.2 129.59 8.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.68 142.55 28.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.99 125.8 3.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.46 4.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.919 ' HB1' HD12 ' A' ' 37' ' ' LEU . . . -141.61 115.48 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.85 126.96 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 65.41 167.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -157.54 100.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.54 -59.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.1 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.639 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -150.81 62.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 80.06 -68.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.76 170.83 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -132.4 164.1 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -81.52 144.37 31.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.23 80.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.1 m -108.3 162.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.78 101.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 89.25 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.4 m -95.62 79.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.63 148.9 35.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 2.1 m-30 -116.65 105.62 12.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.67 67.84 0.28 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -88.06 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 7.8 p90 -94.88 133.01 39.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 100' ' ' ASN . 0.8 OUTLIER -93.65 171.5 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -168.83 145.5 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 83.8 m 65.09 -77.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 93' ' ' THR . 12.9 tt0 88.86 -22.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' TYR . . . . . 0.532 ' H ' HG22 ' A' ' 93' ' ' THR . 23.9 m-85 -81.4 166.49 37.89 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.44 3.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.1 m -122.55 -61.51 1.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -146.12 16.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.1 OUTLIER 39.51 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 101' ' ' ASP . 8.9 p-10 -79.25 -51.24 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 100' ' ' ASN . 7.7 m-20 157.24 46.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 102' ' ' THR . 1.3 t 39.53 35.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.36 144.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.22 173.79 10.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.13 -169.26 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.22 116.06 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.84 97.49 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.14 126.93 55.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.78 91.65 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -106.15 -142.8 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -134.61 157.82 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.75 131.9 10.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.01 120.96 10.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.64 118.37 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -176.21 98.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 177.38 75.29 0.11 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.18 -62.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -67.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.6 p30 177.37 53.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 145' ' ' GLY . 0.6 OUTLIER -139.99 173.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 122' ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' ' 121' ' ' VAL . . . -119.6 145.25 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -132.71 133.64 43.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.26 156.17 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.91 94.34 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.5 p -49.74 117.06 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.51 103.66 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -132.15 -175.64 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.27 130.34 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.6 p -85.12 -170.46 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -179.29 49.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 12.8 mm -120.77 82.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.403 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 77.68 39.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.51 97.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 136' ' ' ASP . 30.3 t 68.08 166.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.482 ' N ' HG12 ' A' ' 135' ' ' VAL . 2.0 t0 -170.91 -48.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.7 p -176.54 137.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 139' ' ' THR . . . -103.28 -157.85 25.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 138' ' ' GLY . 2.3 p -155.32 112.43 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.37 103.33 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.512 HD11 ' H ' ' A' ' 9' ' ' TYR . 8.4 tp -153.7 159.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -109.71 115.43 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -98.94 120.76 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.423 HG23 HG21 ' A' ' 121' ' ' VAL . 7.4 p -158.02 127.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -113.24 169.63 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -175.74 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.14 150.69 24.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -52.12 -35.88 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.01 83.4 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -116.51 142.65 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p -145.97 128.6 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -146.18 126.55 14.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.78 88.46 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.88 -160.53 11.01 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -145.5 135.97 24.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.11 170.5 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -162.64 98.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.6 152.52 35.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' HB3' HG21 ' A' ' 137' ' ' VAL . 1.3 m-20 -94.04 179.82 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.14 83.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 69.01 -72.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.18 79.43 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -145.64 -51.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ttt 59.18 88.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 177.33 95.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.8 -161.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.23 -56.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 -123.63 7.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 24' ' ' PHE . . . -176.85 -105.06 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 93.8 m-85 -161.97 127.5 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.85 83.42 2.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -92.18 92.88 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 142.1 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -152.3 108.9 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' HD2' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -135.38 -157.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -126.81 153.38 45.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.5 116.73 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 5.5 tt0 -140.08 53.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 m-20 170.16 41.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 4.9 m120 82.04 -50.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 160.61 96.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -64.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 pp -177.61 91.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' HA3' ' CG ' ' A' ' 69' ' ' PRO . . . -63.68 118.66 13.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 39' ' ' VAL . 75.8 t -99.03 59.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG22 ' HD2' ' A' ' 29' ' ' ARG . 7.7 pt -80.07 157.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.32 67.62 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 p -89.09 176.23 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 11.9 m-85 -125.05 107.96 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 p -85.32 103.44 14.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -82.77 131.85 35.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.5 p -123.52 111.34 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -112.26 139.58 47.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ARG . 28.8 tttt -118.52 111.2 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m 68.79 -65.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER 63.81 108.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p 39.5 86.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.442 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.08 -68.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -161.98 84.09 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.06 54.48 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 57' ' ' TYR . . . -151.61 -59.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' C ' ' CG ' ' A' ' 57' ' ' TYR . 6.2 m-20 69.51 -64.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.428 ' CG ' ' C ' ' A' ' 56' ' ' ASP . 6.6 m-85 68.3 -62.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.7 t-20 -102.66 129.38 49.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -137.96 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -56.35 162.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.52 145.77 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.23 137.24 38.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 16.6 t80 -162.15 160.49 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.424 ' O ' ' CE1' ' A' ' 63' ' ' TYR . . . -162.04 -143.65 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 tp -120.37 131.91 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 0.73 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -123.78 141.45 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.03 138.43 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.59 80.92 1.45 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.462 ' CG ' ' HA3' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -75.04 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.58 ' HA ' HG23 ' A' ' 79' ' ' ILE . . . -152.0 139.41 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -95.89 175.16 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 130.1 8.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -121.68 142.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 171.69 -55.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.08 -47.34 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -136.21 87.93 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 107.993 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' HB2' HG12 ' A' ' 73' ' ' ILE . . . -39.94 -66.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p 60.74 57.33 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.58 HG23 ' HA ' ' A' ' 70' ' ' ALA . 35.2 mt -79.87 158.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.415 ' CD2' ' CB ' ' A' ' 111' ' ' ALA . 18.4 m-85 -130.34 112.03 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -37.38 -87.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.55 HG21 ' HB ' ' A' ' 66' ' ' THR . 6.2 p -173.48 171.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 82' ' ' VAL . 6.2 m -144.46 104.24 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.52 -164.01 12.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 p -146.33 135.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.71 153.49 47.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -105.93 137.54 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.6 84.61 1.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.5 61.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.16 150.35 26.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.65 174.26 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 98' ' ' TYR . 19.2 m -152.77 140.08 19.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 94' ' ' GLU . 54.0 m 65.69 -95.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER 179.82 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -157.81 161.12 29.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.64 18.54 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 m -70.86 -34.91 72.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' TYR . . . . . 0.406 ' O ' ' HB ' ' A' ' 92' ' ' THR . 42.5 m-85 -116.66 101.21 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -141.78 153.16 44.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -94.94 60.19 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -73.38 130.6 40.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.21 151.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 99.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.1 110.12 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -111.91 90.22 3.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.84 79.75 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.75 125.93 25.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.0 p -106.08 127.89 53.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 109' ' ' TYR . 3.7 p90 -140.28 143.79 36.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -179.09 119.96 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.415 ' CB ' ' CD2' ' A' ' 80' ' ' TYR . . . -116.12 148.83 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.609 ' C ' HD23 ' A' ' 113' ' ' LEU . . . 111.01 131.9 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 177.78 40.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.08 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 115' ' ' PHE . 52.6 p90 -85.32 109.12 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 115' ' ' PHE . 3.4 m-20 174.08 65.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.5 ' HG3' HG13 ' A' ' 121' ' ' VAL . 18.4 Cg_endo -75.02 -51.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 178.2 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.99 -85.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 42.7 t30 178.01 57.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.5 HG13 ' HG3' ' A' ' 117' ' ' PRO . 2.8 p -131.34 153.69 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.06 156.46 17.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 pp -175.78 141.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ASP . . . . . 0.425 ' HB3' HG23 ' A' ' 141' ' ' ILE . 35.6 m-20 -88.75 137.89 31.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.74 90.78 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.1 p -159.44 155.2 26.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.39 128.41 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -107.76 85.63 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -105.14 125.6 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -87.29 177.17 7.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ARG . . . . . 0.403 ' CD ' ' HB ' ' A' ' 135' ' ' VAL . 4.1 mtp180 51.69 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 132' ' ' ILE . 6.4 tt -91.33 43.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 75.34 5.76 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.6 t -84.24 -41.05 17.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 136' ' ' ASP . 84.0 t -133.2 157.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 135' ' ' VAL . 2.3 t70 76.02 166.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 138' ' ' GLY . 1.9 t -137.72 -175.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' GLY . . . . . 0.732 ' H ' HG12 ' A' ' 137' ' ' VAL . . . -98.63 154.01 19.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.4 t -103.48 142.06 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.96 96.18 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 124' ' ' ASP . 4.6 tp -91.29 137.56 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -168.48 122.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -149.51 -164.29 11.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.054 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.0 p -101.55 153.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -133.18 106.08 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 123.65 50.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 136.01 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 4' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 148' ' ' PHE . 22.3 m 62.78 -97.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.77 55.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 1' ' ' ALA . 12.1 t -131.74 159.69 37.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.53 141.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -117.28 100.12 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.429 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -116.79 133.54 10.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.19 171.55 31.49 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' H ' HG21 ' A' ' 141' ' ' ILE . 68.5 m-85 -129.51 127.13 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.798 ' HB2' HG23 ' A' ' 139' ' ' THR . . . -119.81 132.95 55.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 12' ' ' SER . 15.6 pt20 -171.06 -166.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 11' ' ' GLN . 1.0 OUTLIER 85.62 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.8 114.17 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.11 78.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' HG22 ' A' ' 135' ' ' VAL . 44.4 tt0 74.75 -60.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.04 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 176.04 50.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.262 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.03 73.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . 29.5 t-20 -172.61 97.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -108.51 54.84 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 178.53 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.22 -72.53 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.47 -170.45 43.51 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -143.94 132.74 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -114.93 127.26 55.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -151.58 102.57 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.47 -167.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -126.59 175.56 7.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 126.18 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -99.04 61.72 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.28 61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -173.32 56.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t0 176.23 54.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.58 89.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.0 p 179.98 105.99 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.767 ' C ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -84.15 153.2 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.81 163.33 14.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.3 p -151.02 64.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.636 ' N ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -135.36 -174.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.66 -98.37 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.1 p 175.7 -179.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 5.6 p90 -130.64 39.92 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER 177.75 146.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 64.4 t80 -178.29 42.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.98 161.06 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -79.32 -155.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -77.14 -64.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.39 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -152.94 139.1 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 t -159.03 61.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.77 84.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.0 105.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.4 m 64.65 39.82 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -80.28 -45.35 8.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASP . . . . . 0.519 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 30.7 t0 40.43 68.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER 176.23 -78.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 2.8 t30 81.75 -66.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 40.31 80.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -56.7 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 175.53 141.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.44 129.13 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -102.42 85.44 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.86 119.81 5.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.19 89.14 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.6 m -95.47 75.36 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.94 -70.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.03 -160.15 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.77 146.52 27.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 40.2 t80 -176.68 138.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.71 86.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 78.2 mt 46.7 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -58.94 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -119.58 -56.54 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 76' ' ' TRP . 10.9 t90 176.72 53.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.78 -172.5 2.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -170.56 91.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -125.31 128.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 71' ' ' TYR . 1.3 t80 -177.25 166.79 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.58 163.18 54.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.09 147.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.94 135.46 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.85 143.05 13.63 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.17 121.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.41 151.62 26.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -108.59 134.98 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.31 121.65 12.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 177.33 84.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' GLN . 2.5 p90 -164.69 -169.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.9 pt20 38.0 -148.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 93' ' ' THR . 0.3 OUTLIER 74.03 -56.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' THR . . . . . 0.525 ' N ' HG22 ' A' ' 92' ' ' THR . 3.2 t -69.31 59.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -134.63 -46.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -148.78 167.07 13.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 57.91 4.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.6 p -133.67 -45.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 54.33 98.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -63.13 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 42.95 49.7 5.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.81 146.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 102' ' ' THR . 7.4 t -83.21 58.99 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.447 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -136.64 69.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.97 99.17 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.28 123.84 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.51 132.63 3.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.18 104.07 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' A' ' 129' ' ' GLN . 23.6 p -84.83 170.58 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.68 119.94 7.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -130.34 155.17 20.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.18 119.43 12.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CD2' ' A' ' 123' ' ' LEU . . . -105.78 94.94 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.1 tp -102.26 142.27 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -92.26 68.81 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.2 96.06 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASN . . . . . 0.441 ' HB2' HG23 ' A' ' 121' ' ' VAL . 19.7 p-10 -140.05 147.23 49.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 118' ' ' MET . 18.4 Cg_endo -74.93 1.42 7.72 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' MET . . . . . 0.512 ' CB ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 82.53 49.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -115.99 -64.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -179.65 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 116' ' ' ASN . 2.4 m -130.53 151.74 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.57 44.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.452 ' CD2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -179.41 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.1 -37.36 81.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.13 93.85 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 134.99 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.91 162.64 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -94.03 128.08 40.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 108' ' ' SER . 5.3 mp0 -79.09 -164.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.15 -162.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 177.3 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.9 mt -137.79 154.05 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 132' ' ' ILE . 0.6 OUTLIER -35.83 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 134' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.6 OUTLIER -83.45 55.76 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' HG3' ' A' ' 15' ' ' GLN . 13.9 t -152.72 126.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.54 130.34 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.3 109.46 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -74.78 119.68 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.798 HG23 ' HB2' ' A' ' 10' ' ' ALA . 43.2 m -110.25 81.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.41 90.7 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 142' ' ' ALA . 0.5 OUTLIER -160.76 -167.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ALA . . . . . 0.668 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -136.32 167.57 21.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.65 -163.53 36.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 144' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' GLY . 7.3 p -169.67 78.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -118.55 141.58 16.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 31.2 p90 -117.18 72.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.78 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 146' ' ' TYR . 0.0 OUTLIER 164.31 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 148' ' ' PHE . . . . . 0.418 ' CB ' ' HB ' ' A' ' 2' ' ' THR . 11.9 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 p . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.401 -0.222 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t 177.61 71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.707 HG21 ' O ' ' A' ' 146' ' ' TYR . 6.2 t -163.24 161.93 25.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.4 p -101.0 114.09 39.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -115.54 158.06 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.94 166.47 34.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.42 -132.5 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.62 151.83 47.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.56 107.9 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -84.15 146.77 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.45 132.65 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -143.67 88.65 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 135' ' ' VAL . . . -121.4 160.51 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 78.17 17.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 72.6 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 43.95 72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.05 46.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.59 148.95 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.16 172.34 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.12 -175.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.21 -63.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.62 -179.11 29.37 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -116.65 134.68 54.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.5 112.14 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.34 124.58 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 128.93 49.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 3.9 p90 -155.03 121.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.34 -176.22 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -167.3 91.65 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -153.75 112.28 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.06 120.57 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 52.83 81.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 176.52 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -170.59 129.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 110.05 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.87 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -174.6 127.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.03 -166.79 11.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.465 HG13 ' O ' ' A' ' 39' ' ' VAL . 7.7 p -125.98 99.86 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.754 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.951 HD12 ' O ' ' A' ' 68' ' ' GLY . 40.5 mt -87.22 109.42 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.33 130.63 9.97 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.11 105.97 5.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -112.0 105.45 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -136.3 159.01 43.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.442 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -111.96 160.98 16.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -115.62 111.71 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -81.57 80.45 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.45 145.3 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 58' ' ' ASN . 70.3 m 61.3 -178.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.454 -0.272 0 CA-C-O 120.43 0.157 . . . . 0.0 110.958 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 16.5 t-20 -174.78 159.73 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -133.51 172.54 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.43 157.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -101.83 176.25 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -94.14 143.51 26.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -131.99 126.88 35.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.3 137.1 9.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.525 ' O ' HG23 ' A' ' 65' ' ' ILE . 1.0 OUTLIER -122.12 105.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 83' ' ' VAL . 16.2 m -95.9 151.3 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.54 155.78 32.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.951 ' O ' HD12 ' A' ' 40' ' ' ILE . . . 173.92 151.57 8.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.84 6.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.0 112.08 20.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.93 109.17 7.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' ILE . 22.6 ttp180 -80.35 -62.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 46.34 -171.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 57.98 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.48 ' OD2' ' CD1' ' A' ' 76' ' ' TRP . 24.0 p-10 -46.98 -49.5 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.498 ' O ' ' CE3' ' A' ' 76' ' ' TRP . 55.6 p-90 -175.22 55.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.44 108.06 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 m -63.42 161.35 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -118.1 150.34 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -82.8 153.97 24.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.64 50.5 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.667 HG23 ' O ' ' A' ' 82' ' ' VAL . 18.0 m -114.94 92.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 66' ' ' THR . 6.3 m -97.77 150.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.6 149.92 21.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.8 p -135.31 139.59 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.93 151.41 17.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -176.66 156.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.69 179.65 30.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -103.51 77.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.557 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 37.1 p90 -155.17 129.23 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.3 p . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.379 -0.23 . . . . 0.0 110.379 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.0 m -45.02 111.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.97 162.33 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -108.02 118.47 36.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.79 152.39 30.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.46 94.16 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.1 t -113.99 115.56 27.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.53 153.48 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -119.39 179.7 16.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -113.82 161.94 16.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.78 120.37 6.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.72 71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -104.76 136.63 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.82 173.28 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.17 146.28 58.15 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.21 33.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -58.01 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.43 -58.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -171.33 74.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -170.9 141.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.47 100.84 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -117.3 144.74 44.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -117.04 101.67 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -129.7 124.95 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.58 125.51 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.89 133.52 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.55 156.47 47.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.4 169.38 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -154.8 48.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 134' ' ' SER . 5.4 mt -86.26 84.91 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.97 -66.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -166.16 74.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 14' ' ' ALA . 75.3 t -128.67 134.34 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.83 120.32 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.5 136.12 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -127.64 92.46 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 10.2 t -94.8 158.36 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -137.3 95.31 3.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 108.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 8.4 tt -56.79 138.01 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -132.6 53.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -53.98 144.49 27.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.457 ' O ' HG23 ' A' ' 144' ' ' VAL . 26.9 m -147.18 65.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.08 -168.15 12.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.707 ' O ' HG21 ' A' ' 4' ' ' THR . 1.9 t80 -88.06 177.48 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.67 138.34 44.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.405 -0.22 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -178.2 153.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 4' ' ' THR . 1.8 m -165.65 56.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.427 ' HA ' ' CA ' ' A' ' 145' ' ' GLY . 28.2 t -80.06 145.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 5' ' ' VAL . 1.8 t -178.57 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.29 127.95 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.92 98.69 0.13 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.1 162.43 13.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.95 149.3 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.11 82.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.59 -179.88 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -117.75 173.84 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB1' HG22 ' A' ' 137' ' ' VAL . . . -141.81 143.99 33.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.7 -65.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.65 -64.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.93 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 tpt -120.38 -43.24 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -167.35 146.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.03 133.35 37.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.6 ptm -90.03 162.21 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.2 124.38 3.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.33 148.74 17.75 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 26' ' ' LEU . 4.5 t80 -140.6 121.49 14.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.566 ' O ' HD12 ' A' ' 26' ' ' LEU . 28.3 t-20 -81.81 134.01 35.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -163.92 62.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -139.49 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' ILE . 49.3 p90 -154.42 175.22 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -135.07 128.88 33.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 124.61 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -122.96 87.99 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -177.61 100.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 178.39 -65.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 179.19 38.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -136.71 141.51 35.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.15 10.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -130.08 178.78 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -96.62 172.65 28.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.96 44.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -176.9 148.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.78 55.34 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -157.81 94.27 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 25' ' ' ASN . 3.4 p90 -85.91 138.72 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -147.86 73.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -122.86 78.76 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.4 t -153.04 160.31 42.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' THR . 2.1 mm-40 165.32 149.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -49.65 139.34 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER 62.9 -175.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.515 0.197 . . . . 0.0 110.997 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' OG ' ' A' ' 49' ' ' SER . 21.5 t30 -135.12 161.28 35.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -79.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.45 175.79 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -85.32 -179.01 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -110.92 121.44 45.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.01 94.25 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pt -112.57 136.89 47.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 67' ' ' ALA . 2.6 t -88.08 -161.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.617 ' N ' HG23 ' A' ' 66' ' ' THR . . . -171.83 82.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.47 82.24 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.61 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.752 ' O ' HD13 ' A' ' 37' ' ' LEU . . . -126.3 135.84 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -81.39 -171.7 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -113.88 23.71 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.59 81.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -152.5 127.52 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -51.18 56.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -174.8 57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -162.8 148.88 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -83.24 168.75 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 tp -143.87 149.34 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -94.22 150.36 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 164.92 55.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.23 121.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.47 105.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.87 146.22 16.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.9 t -132.53 84.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.234 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.84 119.64 6.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 t80 170.98 134.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.56 -161.31 31.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -90.92 110.54 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 14.0 m-85 -164.25 -171.77 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.367 -0.235 . . . . 0.0 110.367 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -42.9 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER 74.66 -62.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -134.4 72.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.8 136.38 50.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.83 111.0 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p -124.73 106.21 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -129.11 149.57 50.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 126' ' ' SER . . . -142.9 144.24 13.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.5 141.65 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.43 79.71 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.97 120.32 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.54 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -159.22 93.56 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -175.52 120.05 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.811 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 mtt -168.49 74.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.25 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.4 -22.86 67.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.98 109.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.39 153.83 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.5 mp -130.29 100.77 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -113.05 173.51 6.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -164.09 149.48 10.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.43 ' HB2' ' CA ' ' A' ' 110' ' ' GLY . 17.4 p -138.25 150.26 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 127' ' ' TYR . 24.2 p90 -109.33 122.68 47.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.07 122.37 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -109.63 147.29 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB2' HG21 ' A' ' 137' ' ' VAL . 0.1 OUTLIER -116.01 134.51 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.039 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -102.01 32.54 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.5 pt -103.2 53.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 54.89 48.28 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 135' ' ' VAL . 3.2 m -133.87 -64.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 134' ' ' SER . 16.8 m 45.83 35.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -145.94 34.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 130' ' ' SER . 47.1 t -93.43 102.64 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -86.69 140.01 16.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.9 m -150.37 101.15 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.383 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 53.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.58 -177.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -152.74 89.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.83 127.26 27.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.4 123.17 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 5' ' ' VAL . . . -129.03 -161.42 10.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -110.85 103.13 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.0 m . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 110.38 -0.23 . . . . 0.0 110.38 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 p -162.46 133.15 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.511 HG22 HG12 ' A' ' 5' ' ' VAL . 38.6 m -148.68 -101.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.511 HG12 HG22 ' A' ' 4' ' ' THR . 7.5 p -162.51 144.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 m -141.38 151.46 43.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.7 81.11 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.74 -179.83 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.726 ' O ' HD13 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -166.19 94.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 111.018 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 141' ' ' ILE . . . -123.84 95.84 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.62 152.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 -66.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.95 147.4 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.681 ' HB3' ' HB2' ' A' ' 19' ' ' ASN . . . -118.12 136.18 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.27 70.43 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -154.59 -79.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.42 82.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.5 mtt 54.57 92.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.681 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -126.22 107.5 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.93 91.93 2.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.6 85.57 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.06 159.31 21.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.95 132.94 1.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.9 p90 173.83 130.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 p30 164.2 46.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 27' ' ' LYS . 4.7 tt -162.93 138.81 7.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.814 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -168.13 97.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -128.22 110.16 12.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.833 ' HB3' HD13 ' A' ' 40' ' ' ILE . 2.4 ptt-85 -138.66 172.37 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -131.66 109.65 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.09 135.72 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -140.02 40.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.0 t70 83.26 -50.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -137.32 67.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 t -139.46 71.1 38.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.63 4.32 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.29 102.77 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.88 178.77 48.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.85 128.83 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' A' ' 29' ' ' ARG . 7.3 tp -109.1 141.68 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.45 -165.89 10.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.0 p -176.22 142.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.01 98.86 7.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.24 119.25 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.04 110.45 23.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.5 p -86.18 114.86 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -101.89 44.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 124.72 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -174.21 167.04 4.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.53 0.205 . . . . 0.0 111.016 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 41.28 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -41.13 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -173.23 -66.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -178.02 148.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -147.57 161.56 40.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -172.44 -169.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.84 163.67 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 mt -82.74 137.68 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.739 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.654 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 99.5 m -112.85 90.9 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 66' ' ' THR . . . 82.12 -147.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.52 -115.0 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.58 42.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.02 160.58 29.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.19 171.44 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.8 154.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.4 mt 42.81 83.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -106.92 82.88 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HB2' ' CD1' ' A' ' 76' ' ' TRP . 14.9 p30 -115.05 -50.4 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' OD1' ' A' ' 116' ' ' ASN . 9.2 p-90 -179.85 56.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.0 -179.73 5.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -162.69 74.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.46 ' C ' HD12 ' A' ' 79' ' ' ILE . 1.6 pp -127.76 147.73 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -176.05 98.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 55.92 164.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 p -155.84 124.85 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -173.44 149.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.75 -172.26 15.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.89 55.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.99 133.04 11.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.557 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 46.7 p90 -178.35 -178.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.11 50.49 9.22 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 40.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 27.1 p90 -173.35 84.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 110.343 -0.243 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.41 100.21 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.68 100.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.479 ' O ' HD13 ' A' ' 132' ' ' ILE . 9.2 p90 -93.97 157.29 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 145.1 153.02 5.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -173.49 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -131.82 147.39 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -161.83 136.74 7.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . 141.92 -100.04 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 110' ' ' GLY . . . -179.23 158.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -96.63 157.45 21.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.4 tp -158.24 119.88 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 166.83 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.1 158.02 25.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.591 ' OD1' ' CE3' ' A' ' 76' ' ' TRP . 1.4 t30 -84.0 141.68 40.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.25 34.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.0 ttt -107.56 -60.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.84 -69.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -158.46 76.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.2 p -166.56 128.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.76 100.89 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.32 178.48 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -157.22 123.15 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.54 110.93 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.4 t -129.06 173.11 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.051 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -110.46 108.61 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 141' ' ' ILE . 17.1 mm-40 -103.21 91.5 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.421 ' CG ' ' HA ' ' A' ' 136' ' ' ASP . 3.4 tt0 -167.29 144.35 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 p -81.73 179.69 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.57 35.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 105' ' ' TYR . 1.7 pt -115.68 39.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 132' ' ' ILE . 2.9 tpp180 36.0 50.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.5 t -147.59 -72.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 55.7 t -83.64 144.44 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.421 ' HA ' ' CG ' ' A' ' 129' ' ' GLN . 6.0 t0 -155.66 72.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.5 t -82.17 144.84 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -78.96 133.41 12.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 139' ' ' THR . 12.8 t -85.52 109.34 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -138.5 53.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 9' ' ' TYR . 46.4 mm -74.41 139.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 141' ' ' ILE . . . -179.56 102.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -129.73 156.73 21.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.57 110.95 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -108.88 146.44 16.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.94 -171.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.54 123.26 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.41 HG21 ' OE2' ' A' ' 31' ' ' GLU . 56.0 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.97 76.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -107.74 152.45 24.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 26' ' ' LEU . 14.9 p -124.17 128.04 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 6' ' ' THR . 7.0 t -103.21 117.78 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.12 83.6 0.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.55 114.91 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.05 111.39 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 139' ' ' THR . . . -94.32 134.29 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -158.15 108.33 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -165.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -164.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -165.6 106.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? 67.77 -67.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -114.46 -109.15 2.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.32 71.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' LYS . 4.2 mpp? -111.54 62.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 19' ' ' ASN . 1.5 m-80 60.57 -86.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 77.8 -56.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 mmt 61.71 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . 165.1 -126.03 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.46 -141.42 4.77 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -152.46 122.29 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.24 104.81 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -169.84 134.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.98 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.97 154.01 27.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HA ' HG23 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -131.53 146.78 52.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.426 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -124.66 109.89 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE2' HG21 ' A' ' 2' ' ' THR . 4.4 pt-20 -104.81 175.51 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.82 164.57 31.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.4 17.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.04 30.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.05 84.21 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 62.66 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.69 111.53 5.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.72 167.75 46.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.6 p -173.82 46.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.452 HG23 ' HA ' ' A' ' 29' ' ' ARG . 3.2 tt -165.47 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.35 -146.52 11.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' N ' ' A' ' 26' ' ' LEU . 9.6 t -143.7 149.47 37.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.736 . . . . 0.0 110.055 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 43' ' ' PHE . 27.6 p90 -177.41 82.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 1.5 t -179.4 48.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -165.32 79.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -99.32 155.23 17.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.99 106.09 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 129.44 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ARG . 16.3 p -72.03 61.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 49' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 CA-C-O 120.472 0.177 . . . . 0.0 111.004 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -73.09 147.44 44.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 166.27 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.419 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 3.7 t-20 68.6 158.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.01 98.29 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CE2' ' HB ' ' A' ' 44' ' ' THR . 1.3 t80 -179.93 112.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.36 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 43' ' ' PHE . . . -148.99 61.76 0.43 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 85' ' ' VAL . 2.8 mp -91.25 122.52 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -167.91 134.18 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.94 -170.58 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.42 70.65 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD2' ' CE1' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 167.31 27.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.28 122.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -98.95 155.72 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.61 ' C ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER 67.44 -165.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.61 HD13 ' C ' ' A' ' 72' ' ' ARG . 2.3 mm -106.87 -74.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.63 57.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.32 -59.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.9 82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 -73.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 m 61.45 42.53 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -146.32 76.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.488 ' HB2' HD22 ' A' ' 113' ' ' LEU . 93.5 t80 -105.61 101.96 11.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.92 101.92 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.72 163.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.65 88.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.34 163.23 18.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.742 ' O ' HD13 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -140.41 69.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.56 132.49 4.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.94 132.71 36.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.5 156.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 150.21 28.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -84.4 -151.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 7.6 pm0 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.336 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.381 -0.229 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.8 p -69.85 97.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.27 116.55 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -141.87 141.83 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.689 ' HA3' HD13 ' A' ' 132' ' ' ILE . . . -166.43 -109.93 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 106' ' ' GLY . 44.7 m-85 -153.1 161.93 41.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 129' ' ' GLN . 21.9 p -128.68 139.16 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -124.82 131.96 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.55 -168.92 23.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -127.97 154.04 46.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.502 ' O ' HD22 ' A' ' 113' ' ' LEU . . . -170.08 106.5 0.24 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 112' ' ' GLY . 1.0 OUTLIER -130.78 -165.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -137.33 149.4 47.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.41 89.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 166.29 80.02 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 88.36 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.8 mtt -143.27 -82.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -101.88 -87.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 120' ' ' ASN . 4.3 p30 -171.38 63.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 122' ' ' ALA . 9.9 p -119.01 167.72 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.425 ' H ' HG22 ' A' ' 121' ' ' VAL . . . -130.79 96.39 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 tp -93.74 86.01 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.61 -163.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -177.3 -171.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER -165.36 -174.65 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.425 ' N ' ' OG ' ' A' ' 126' ' ' SER . 1.4 t80 -172.22 48.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 1.5 tt0 -171.22 167.76 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 137' ' ' VAL . 4.0 mt-30 163.52 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 p -113.52 163.68 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.24 37.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.741 HG23 ' N ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -161.37 -148.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.741 ' N ' HG23 ' A' ' 132' ' ' ILE . 3.3 ttt-85 -60.75 -58.12 9.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ASP . 57.8 p -41.26 -45.0 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.733 ' O ' HG13 ' A' ' 135' ' ' VAL . 0.3 OUTLIER 37.63 33.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 134' ' ' SER . 2.1 t70 -170.5 62.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -127.67 97.77 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -105.59 122.7 7.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 10' ' ' ALA . 9.2 m -137.52 71.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -173.92 169.66 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -168.86 -45.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -169.62 173.0 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.13 134.84 5.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 144' ' ' VAL . 4.7 p -132.32 113.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.55 3.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.84 112.11 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.747 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 167.35 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.4 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.14 74.51 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 146' ' ' TYR . 24.1 m -98.72 134.79 41.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.0 t -107.51 102.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.417 HG23 HG22 ' A' ' 4' ' ' THR . 4.8 p -135.01 114.95 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.67 -146.39 17.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.63 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -67.31 132.38 47.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.76 119.99 18.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -124.52 165.85 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -160.05 125.9 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.42 120.46 34.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.95 172.16 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.25 71.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.3 -43.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 71.56 56.03 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 0.749 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 tpp -160.45 68.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.59 135.77 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -132.63 86.08 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -102.24 133.81 46.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.34 121.0 2.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.43 -177.87 35.81 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 35.9 p90 -177.74 120.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 164.81 101.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -174.55 40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 83.02 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -150.03 69.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -80.65 159.07 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.672 ' O ' HG12 ' A' ' 39' ' ' VAL . 2.8 t80 -112.98 84.68 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.08 95.9 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.51 -160.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -57.05 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -116.39 54.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.0 p -91.23 141.91 26.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -84.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.01 167.69 20.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.27 62.61 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 30' ' ' TYR . 19.5 m -91.75 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.737 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 67' ' ' ALA . 16.6 tt -80.28 135.62 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.97 42.21 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.64 116.83 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -168.72 104.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 m -108.49 157.36 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.18 94.6 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.04 160.12 43.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.94 153.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -69.86 -60.72 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 p 59.43 167.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 110.278 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 . . . . . 0 N--CA 1.453 -0.296 0 CA-C-O 120.489 0.185 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -111.09 108.12 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 71.32 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -136.11 139.27 42.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -114.43 156.26 24.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 92.01 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -179.94 -163.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.85 165.79 38.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' ILE . 8.1 tt -80.6 116.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 p -124.49 113.31 17.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 40' ' ' ILE . . . -77.98 154.75 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.93 107.35 3.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.28 89.17 7.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.93 47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.83 144.83 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.64 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -111.23 -49.39 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' CG2' ' A' ' 73' ' ' ILE . 25.3 p30 -171.26 50.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -65.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -172.24 79.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 108.066 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.55 132.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.67 161.82 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.3 mt -101.72 115.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.08 107.82 18.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.57 80.47 0.31 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.3 m -86.23 117.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.56 122.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.38 152.64 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.4 t -111.55 113.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.85 140.21 11.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.74 96.34 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.92 71.44 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.32 64.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -168.7 177.3 5.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.6 p . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.7 p -179.87 137.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 177.62 -177.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -102.29 116.44 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.62 146.71 17.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.21 134.31 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -109.35 90.55 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.974 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -113.57 113.28 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -146.25 175.54 25.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.89 42.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.402 ' C ' HD13 ' A' ' 113' ' ' LEU . . . -153.81 153.63 24.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.063 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -128.94 -178.02 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -168.05 120.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -108.28 -166.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -124.26 108.06 29.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 ptm -159.38 -43.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -103.81 -86.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -174.63 72.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 121' ' ' VAL . 8.1 p -146.28 100.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.67 173.93 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 123' ' ' LEU . 4.2 pp -155.05 122.11 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.57 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.375 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 125' ' ' PHE . 3.2 p90 -169.44 135.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.1 m -113.03 131.98 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -121.18 120.12 34.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.9 176.11 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -165.23 169.3 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 t -80.96 137.71 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -150.03 20.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.435 HG12 ' N ' ' A' ' 133' ' ' ARG . 0.2 OUTLIER -132.93 -139.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 134' ' ' SER . 0.8 OUTLIER -41.28 -66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER 163.21 52.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.958 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.95 131.08 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.08 103.69 12.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.55 157.03 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.49 87.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 13.4 t -86.55 172.28 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -156.44 101.17 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 107.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.6 pt -109.33 167.62 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.74 99.79 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.61 121.18 6.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.94 150.46 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 70.82 161.74 4.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 21.6 p90 -176.33 55.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.16 131.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.516 HG21 ' HG3' ' A' ' 31' ' ' GLU . 68.8 p . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.88 114.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -123.95 142.6 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.09 121.63 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.462 HG23 ' HA3' ' A' ' 143' ' ' GLY . 3.7 m -152.89 113.47 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.4 ' N ' ' HA3' ' A' ' 143' ' ' GLY . . . 141.05 -170.67 24.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 126.91 -77.79 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 142' ' ' ALA . 1.4 m-85 -48.58 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . -113.77 150.21 33.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -152.48 121.91 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 63.8 174.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 137' ' ' VAL . 13.3 m-20 -170.37 46.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.1 131.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB2' ' CB ' ' A' ' 136' ' ' ASP . 2.2 tt0 -49.27 117.87 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.63 89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.32 -44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm 55.7 84.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.74 128.27 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.76 -173.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.52 -49.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.79 -86.75 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.62 -163.49 27.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.44 116.76 27.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -109.56 167.26 10.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.64 88.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -55.25 122.24 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.76 109.4 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.1 128.22 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -113.4 127.51 56.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.516 ' HG3' HG21 ' A' ' 2' ' ' THR . 9.6 pt-20 -144.16 153.89 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -134.63 176.11 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -45.75 61.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.07 -51.52 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.23 150.53 1.91 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.19 70.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.9 134.15 12.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.0 p -172.67 58.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.75 146.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.48 76.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m 178.12 71.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -155.53 109.81 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.736 HG22 ' CE1' ' A' ' 63' ' ' TYR . 3.8 t -142.26 174.99 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -128.26 151.74 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 p -85.66 163.16 18.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -146.76 81.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.14 -160.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.02 -169.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 53.6 p90 . . . . . 0 N--CA 1.454 -0.275 0 CA-C-O 120.501 0.191 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.46 -63.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.97 151.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.06 115.07 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER 173.22 76.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 84.6 m-85 -162.22 172.61 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.736 ' CE1' HG22 ' A' ' 44' ' ' THR . 10.8 t80 -172.97 -173.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.89 159.93 13.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.07 128.16 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.9 p -141.86 171.2 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' A' ' 39' ' ' VAL . . . -172.77 153.16 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.57 133.55 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.9 145.12 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -168.13 175.73 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 62.2 132.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.55 143.33 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.0 -169.18 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -58.53 -54.34 48.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -167.24 56.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.86 149.93 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.43 145.95 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mm -131.61 115.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 8.5 p90 -125.37 128.2 47.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -127.22 139.39 11.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -133.13 142.87 40.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 141.46 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.4 -158.61 8.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -142.87 104.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.2 153.32 52.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.81 -178.49 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA3' ' CE2' ' A' ' 90' ' ' PHE . . . -38.23 131.35 1.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -119.42 73.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE2' ' HA3' ' A' ' 88' ' ' GLY . 7.1 m-85 -91.52 165.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t . . . . . 0 N--CA 1.454 -0.27 0 N-CA-C 110.363 -0.236 . . . . 0.0 110.363 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.5 m -54.71 137.92 43.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.47 166.47 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -173.45 162.71 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.04 -157.68 9.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.466 ' O ' ' CB ' ' A' ' 108' ' ' SER . 2.7 t80 -147.69 68.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 107' ' ' PHE . 0.4 OUTLIER 162.06 146.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER 179.69 46.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -157.12 118.42 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 127' ' ' TYR . . . 178.49 80.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -122.01 179.69 16.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.29 108.38 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -125.75 100.03 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -168.69 104.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 122' ' ' ALA . 2.2 p-10 -146.07 149.63 39.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.89 4.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.436 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -177.32 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -18.96 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -74.64 -18.86 60.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 p -161.61 118.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 116' ' ' ASN . . . -114.07 -169.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.63 106.26 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -56.22 136.53 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -164.17 54.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.7 m -108.76 114.5 28.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 111' ' ' ALA . 24.1 p90 -124.5 125.39 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.482 ' H ' HG21 ' A' ' 139' ' ' THR . 3.1 pt-20 -80.71 161.02 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -109.86 127.04 54.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.5 p -131.61 128.03 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.71 36.01 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.2 tp -111.95 61.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 79.82 -53.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -43.92 -48.68 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.0 t 63.79 -79.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -94.59 95.73 8.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 13' ' ' ASP . 12.7 p -82.05 142.32 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.71 72.56 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 139' ' ' THR . 8.2 t -101.61 64.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -80.12 106.71 12.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.52 125.35 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . . . -96.24 116.4 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.462 ' HA3' HG23 ' A' ' 6' ' ' THR . . . -126.33 178.21 16.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.31 148.77 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -78.64 103.21 1.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.24 145.48 51.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -145.05 131.15 19.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.34 -0.245 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.2 p -140.87 170.07 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 147' ' ' ARG . 67.4 p -121.5 176.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.546 ' O ' HG12 ' A' ' 5' ' ' VAL . 63.0 t -111.22 70.64 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -121.47 154.05 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.85 58.1 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.33 151.39 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -144.16 141.14 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.45 156.27 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -100.24 99.86 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -71.17 94.85 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.604 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 p-10 -163.4 106.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 13' ' ' ASP . . . 169.97 -178.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 39.5 60.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.07 -26.24 10.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 77.78 26.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -155.05 89.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -155.99 124.83 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 102.53 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.435 ' SD ' HG11 ' A' ' 137' ' ' VAL . 6.5 ttt -136.47 110.88 8.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.48 136.8 14.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.0 138.24 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -152.62 113.7 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -115.73 147.65 40.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 94.16 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -41.55 109.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -112.28 85.02 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -105.75 144.73 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -126.28 133.33 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -98.02 114.96 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -121.6 -173.42 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.58 61.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.19 -51.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.68 117.87 66.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' HD13 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 61.08 5.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -171.51 -177.74 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.11 122.66 2.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -82.5 131.1 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 40' ' ' ILE . 7.9 mm -119.68 100.29 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.63 -172.58 32.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 p -173.81 146.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -153.23 101.26 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 t -118.71 122.09 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -82.42 143.42 31.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.9 m -97.86 94.08 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -93.53 109.62 21.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' ARG . 2.2 tttt -138.67 161.79 36.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.8 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' LYS . 2.2 ttp85 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.49 0.186 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.87 140.0 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -50.0 175.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 7.7 t-20 80.42 99.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.01 166.19 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 48.4 p90 -80.03 129.22 34.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -171.73 40.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 65' ' ' ILE . . . -100.24 142.99 16.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.469 HD12 ' C ' ' A' ' 64' ' ' GLY . 3.8 mp -135.88 96.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 m -98.53 157.22 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.75 173.13 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.66 158.66 8.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.41 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -171.62 90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 12.7 p90 -164.51 113.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.83 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -164.21 78.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 43.32 56.85 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.59 -83.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.88 51.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.33 132.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.63 57.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.86 122.29 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -92.65 177.84 5.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.99 65.96 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 82' ' ' VAL . 5.3 m -85.95 150.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.6 p -102.58 105.51 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.96 123.76 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 87' ' ' TYR . 53.1 t -124.14 82.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.48 131.84 10.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.486 ' CE2' HG13 ' A' ' 85' ' ' VAL . 30.7 m-85 -146.86 100.77 3.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 0.74 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.38 131.49 10.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.73 168.25 17.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -91.87 143.52 26.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.42 -0.215 . . . . 0.0 110.42 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -136.52 89.63 2.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.26 149.73 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 105' ' ' TYR . 13.5 p90 -170.99 99.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.44 152.94 17.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.55 124.5 50.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.79 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.5 m -88.4 141.37 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -149.6 141.81 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -165.75 -175.32 36.13 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.63 113.23 20.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.7 93.99 1.78 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.57 99.37 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -113.14 144.66 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.88 177.29 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -82.24 139.98 45.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 141.56 26.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.9 ttt -71.85 -59.92 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.38 -56.49 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.97 83.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -176.82 119.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.63 137.26 36.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.87 85.71 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.5 ' CG ' HD13 ' A' ' 141' ' ' ILE . 36.1 p30 -79.7 152.75 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -141.92 114.92 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.29 91.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -81.79 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.51 80.57 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -82.98 113.46 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 m -80.12 158.06 26.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.968 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -118.92 36.13 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 4.7 mm -80.07 77.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER 78.98 -58.38 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.593 ' O ' HG12 ' A' ' 135' ' ' VAL . 91.5 p -177.16 85.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.03 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.674 HG13 ' N ' ' A' ' 136' ' ' ASP . 0.4 OUTLIER 83.91 -176.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.674 ' N ' HG13 ' A' ' 135' ' ' VAL . 19.5 t0 176.65 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.435 HG11 ' SD ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -173.95 160.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.56 113.78 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 139' ' ' THR . 15.2 t -174.11 41.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.46 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.69 ' C ' HD12 ' A' ' 141' ' ' ILE . 1.6 pp -110.06 154.96 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -172.89 139.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.81 169.6 42.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.49 168.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -127.07 117.97 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -169.66 102.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.777 ' HA ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.38 153.7 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 65.4 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.453 -0.306 0 CA-C-O 120.533 0.206 . . . . 0.0 110.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 m -89.37 106.18 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -140.92 155.68 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 5' ' ' VAL . 6.9 p -132.5 108.5 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.474 ' OG1' ' CD2' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -89.91 155.42 19.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.872 ' O ' HG22 ' A' ' 141' ' ' ILE . . . -104.64 76.21 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.78 141.91 15.57 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.619 ' CB ' HG21 ' A' ' 141' ' ' ILE . 5.3 t80 -177.86 126.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 117.6 21.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -91.5 130.81 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -43.03 127.19 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 177.47 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.36 -178.3 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.03 59.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.55 67.59 1.89 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.78 44.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.9 mtm -74.52 -76.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 74.08 -65.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -179.77 126.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 ptm -171.57 126.35 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.84 141.09 6.75 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 9' ' ' TYR . . . -121.27 161.37 15.35 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -113.2 135.52 53.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 26' ' ' LEU . 3.8 m120 -119.22 138.28 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 25' ' ' ASN . 4.0 mm? -125.99 152.1 46.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -124.35 135.8 53.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -178.92 83.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.0 -155.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -105.69 109.95 22.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.67 141.53 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.31 -170.86 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -52.72 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -148.94 59.11 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -93.78 122.88 61.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HB3' HD11 ' A' ' 73' ' ' ILE . 18.3 Cg_endo -74.99 56.35 4.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.79 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.05 105.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.63 140.26 15.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.9 t -120.24 124.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mm -133.5 125.83 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.1 124.78 1.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.18 -173.89 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -106.16 111.09 23.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -129.53 107.16 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -132.87 164.12 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.4 m -111.68 127.22 55.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.01 88.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.53 157.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -162.08 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 . . . . . 0 N--CA 1.453 -0.32 0 CA-C-O 120.524 0.202 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 177.78 -176.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 pttp 175.27 130.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 170.22 107.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -130.25 -149.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -170.76 -163.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -122.63 179.82 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.93 -89.11 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 65' ' ' ILE . 0.9 OUTLIER -168.55 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 66' ' ' THR . 8.9 t -87.94 106.8 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.91 -169.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.07 65.39 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.47 112.0 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.509 ' CD1' ' CE1' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -102.15 161.47 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 42.83 69.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 73' ' ' ILE . 6.7 tt -74.62 72.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.6 -50.34 5.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 12.7 m-20 -118.73 -75.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.471 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 179.56 63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.025 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.41 -144.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.2 m 63.15 133.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -168.82 91.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.509 ' CE1' ' CD1' ' A' ' 71' ' ' TYR . 9.1 p90 -129.33 129.24 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.07 108.31 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.03 135.72 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.56 94.16 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.73 120.88 2.24 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 85' ' ' VAL . 13.3 p -111.82 115.02 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.802 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.71 161.22 24.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.31 118.98 29.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.99 115.39 4.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -179.63 109.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -168.43 -169.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.1 m . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.59 86.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.62 -47.06 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 2.8 p90 -139.81 127.12 21.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -129.96 123.92 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.9 120.52 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.5 p -81.22 114.27 19.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -112.3 118.61 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -156.69 119.06 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.98 153.49 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.47 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.5 95.89 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -177.16 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -159.23 169.14 24.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -134.78 65.96 67.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.25 3.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -175.07 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.43 -26.79 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.88 -43.23 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.5 81.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.17 78.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.474 ' CD2' ' OG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -168.55 -154.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.465 ' H ' HD12 ' A' ' 123' ' ' LEU . 32.3 m-20 -142.19 158.4 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 126' ' ' SER . 3.1 p90 -151.34 138.89 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER 159.36 -83.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.03 157.03 47.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -177.82 63.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -155.7 -167.61 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -92.52 170.68 9.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.82 70.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.14 66.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.6 56.75 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 -72.06 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.3 t -131.98 123.42 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -115.65 102.41 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 95.3 t -95.78 122.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.45 145.98 41.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 126' ' ' SER . 2.2 m -131.03 145.07 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.22 81.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 7' ' ' GLY . 15.4 mm -151.11 -44.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.17 150.4 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 149.79 -18.92 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -112.32 154.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.52 -178.53 41.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.12 147.5 21.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 147.11 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 3' ' ' SER . 1.0 OUTLIER . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.358 -0.238 . . . . 0.0 110.358 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 2' ' ' THR . 0.1 OUTLIER -83.88 57.74 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 p -62.8 165.24 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -145.77 81.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.572 HG23 ' ND2' ' A' ' 25' ' ' ASN . 8.9 t -135.75 149.7 49.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.38 135.64 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.56 -126.66 0.86 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -175.53 154.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB1' ' OG1' ' A' ' 139' ' ' THR . . . -105.85 138.52 41.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -85.01 148.66 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.43 ' HB3' ' CA ' ' A' ' 21' ' ' MET . 4.3 t -123.6 90.61 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.616 ' HB3' HG11 ' A' ' 137' ' ' VAL . 0.4 OUTLIER -136.31 151.97 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 13' ' ' ASP . . . 176.45 119.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.42 -62.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.38 -63.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -168.46 91.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.76 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -51.06 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -177.88 -76.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.12 139.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.43 ' CA ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -66.05 145.43 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.01 58.19 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 130.39 3.75 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -124.68 157.7 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.572 ' ND2' HG23 ' A' ' 6' ' ' THR . 6.2 p-10 -94.04 129.66 40.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.35 111.57 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB3' HG22 ' A' ' 6' ' ' THR . 6.6 ptpp? -67.86 118.27 10.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -178.11 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -173.43 -177.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.81 83.38 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.43 94.07 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 170.83 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -47.82 72.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -47.13 -48.82 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -82.26 116.34 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 71' ' ' TYR . 3.0 mm? -102.68 118.62 37.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.79 164.98 28.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.83 143.6 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 pp -106.96 140.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.15 179.66 18.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.2 p -176.43 87.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.77 61.09 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -112.46 167.57 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 44' ' ' THR . 44.0 p90 -110.56 136.93 48.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -99.06 165.89 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 2.9 pp20? -86.85 147.19 25.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 11.9 mttt 168.36 51.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.5 t -119.41 158.58 25.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 49' ' ' SER . 2.5 ttt85 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.458 0.17 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 t30 -101.45 96.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 62' ' ' TYR . 1.4 ttpp 71.66 -60.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 70.55 -64.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -126.61 160.74 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -131.1 171.02 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.26 130.01 30.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.37 155.1 26.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.68 132.85 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.1 p -82.34 109.9 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.54 93.32 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.32 94.72 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.78 98.13 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CD1' HD21 ' A' ' 37' ' ' LEU . 50.8 t80 -158.85 101.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.1 OUTLIER 164.05 102.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 72' ' ' ARG . 6.7 pt -154.32 114.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.58 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.76 -52.48 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -114.66 82.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.98 168.58 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.55 141.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 80' ' ' TYR . 31.9 mt -80.43 162.23 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 1.2 t80 -144.14 65.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.53 96.78 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.6 t -114.38 154.62 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 83' ' ' VAL . 14.2 p -128.14 106.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.08 121.28 5.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 85' ' ' VAL . 14.2 m -121.21 107.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.93 78.7 1.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.12 145.35 41.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.66 -149.22 5.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.14 129.38 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CE1' ' OG1' ' A' ' 102' ' ' THR . 1.2 p90 -112.02 157.3 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 13.1 mt-30 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.558 ' OG1' ' CE1' ' A' ' 90' ' ' PHE . 3.8 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.387 -0.227 . . . . 0.0 110.387 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 102' ' ' THR . 69.1 p 53.01 74.13 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -133.01 176.76 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -169.1 137.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.32 175.25 45.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -135.12 118.72 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 m -141.51 128.84 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.441 ' N ' ' CD1' ' A' ' 109' ' ' TYR . 7.4 p90 -157.56 159.16 36.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -142.19 -124.77 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.58 113.55 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.652 ' O ' HD23 ' A' ' 113' ' ' LEU . . . 37.92 -139.18 0.57 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 165.79 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.72 159.41 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 116' ' ' ASN . 6.1 p90 -142.58 -154.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.533 ' O ' ' CE2' ' A' ' 115' ' ' PHE . 0.8 OUTLIER -88.74 118.03 68.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.9 40.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.4 ptt? 176.02 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -0.05 30.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 64.27 55.51 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.56 140.93 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.22 151.59 19.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 123' ' ' LEU . 3.1 tt -147.46 78.97 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -44.35 114.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -97.04 84.52 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.505 ' OG ' HG22 ' A' ' 141' ' ' ILE . 80.9 p -104.88 158.34 16.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.96 143.96 49.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.12 121.3 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -148.6 112.06 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 135' ' ' VAL . 28.1 p -103.65 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.93 71.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER -138.36 48.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.63 31.48 16.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.458 ' C ' HG12 ' A' ' 135' ' ' VAL . 2.4 m -149.6 -58.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 130' ' ' SER . 11.0 p 44.33 46.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.77 -32.53 11.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.728 HG12 ' H ' ' A' ' 138' ' ' GLY . 1.8 t -145.57 -173.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.728 ' H ' HG12 ' A' ' 137' ' ' VAL . . . -169.75 -90.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.504 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 1.8 t -175.02 136.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.491 ' CE3' ' O ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -116.2 140.89 48.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.042 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.505 HG22 ' OG ' ' A' ' 126' ' ' SER . 5.5 tt -108.33 167.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.485 ' HB2' ' CZ2' ' A' ' 140' ' ' TRP . . . -149.23 148.73 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.21 155.91 26.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 144' ' ' VAL . 7.5 p -147.7 63.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 127.21 156.99 9.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 13.5 p90 -175.57 45.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.51 132.72 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 55.9 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m . . . . . 0 N--CA 1.453 -0.306 0 N-CA-C 110.35 -0.241 . . . . 0.0 110.35 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -133.65 112.69 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -120.88 106.24 11.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.09 115.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.8 p -121.14 125.65 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.63 109.45 0.67 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.16 -147.2 5.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -115.28 -167.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.49 110.67 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -152.15 163.15 39.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -116.18 142.24 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -143.08 112.65 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -178.03 -179.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 55.83 -87.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . 166.23 68.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 77.66 59.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.8 tpt -99.12 60.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 61.59 123.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.38 154.66 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -149.63 -64.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.97 -172.98 28.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.88 -161.85 33.12 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -120.26 161.76 20.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -133.21 130.27 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.5 161.63 21.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.19 147.27 27.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.4 138.75 54.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.34 155.54 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -178.7 47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -151.87 166.64 30.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.12 177.31 9.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.08 5.11 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -104.89 -12.27 16.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -158.63 98.01 1.73 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 79.74 2.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tp -161.06 86.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.86 166.75 14.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.85 122.88 53.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 pt -102.98 66.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 117.07 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.5 m -143.29 168.58 19.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 16.4 p90 -122.83 136.2 54.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.3 m -126.34 163.71 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 2.1 p90 -141.21 132.84 27.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.3 m -102.31 158.26 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.57 45.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -128.44 159.02 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t 76.99 -157.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 . . . . . 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 42.4 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.524 0.202 . . . . 0.0 110.997 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 23.5 p-10 -175.4 108.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER 165.77 -75.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 79.05 -64.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -165.44 140.4 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -80.42 115.24 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.63 145.71 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.67 90.34 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.551 ' CG1' HG12 ' A' ' 85' ' ' VAL . 1.1 pt -83.4 109.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.38 138.54 53.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.13 103.3 7.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.51 108.35 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -169.62 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.23 111.62 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.76 152.91 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.11 70.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.456 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -109.57 -44.74 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 175.11 68.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.09 -74.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.67 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -171.67 55.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 83.51 -68.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.4 p -174.71 111.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.87 151.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -178.01 134.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.54 158.13 52.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 128' ' ' GLU . 33.7 m -102.3 177.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.54 121.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 107' ' ' PHE . . . -148.65 -173.53 19.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 85' ' ' VAL . 12.1 p -137.59 93.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -53.36 159.43 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.677 ' CE2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 t80 -158.06 72.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.88 39.69 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -135.31 121.03 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CE2' ' CE2' ' A' ' 87' ' ' TYR . 1.3 m-85 -157.43 175.97 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.974 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.5 t . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.45 -0.204 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.4 m -114.58 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -178.42 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -157.48 170.81 21.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.28 118.71 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.44 ' CE2' ' HA3' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -167.35 -172.93 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.976 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' N ' ' A' ' 130' ' ' SER . 0.1 OUTLIER 175.5 -154.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.77 -167.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.64 -118.51 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.08 143.98 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.08 108.4 2.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.23 79.99 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -111.1 87.01 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -144.64 175.71 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -104.79 114.63 63.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -120.28 -37.61 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.81 -80.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.8 t30 177.84 76.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.44 146.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.91 171.47 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 142' ' ' ALA . 0.2 OUTLIER -173.73 123.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.82 127.39 33.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -86.78 48.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t 39.62 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -157.97 93.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.567 ' HB2' HG21 ' A' ' 82' ' ' VAL . 4.9 pt-20 179.29 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.638 ' HB3' HG12 ' A' ' 137' ' ' VAL . 0.0 OUTLIER 168.47 151.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 129' ' ' GLN . 2.9 t 159.73 61.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.489 ' HG3' HG22 ' A' ' 132' ' ' ILE . 3.2 tpm_? -94.93 -70.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.489 HG22 ' HG3' ' A' ' 131' ' ' ARG . 0.8 OUTLIER 179.29 38.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -42.04 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.532 ' C ' HG23 ' A' ' 135' ' ' VAL . 36.1 m -133.26 8.39 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.532 HG23 ' C ' ' A' ' 134' ' ' SER . 3.6 t 77.45 -56.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -160.41 96.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.665 HG22 ' H ' ' A' ' 138' ' ' GLY . 8.7 p -117.2 176.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.665 ' H ' HG22 ' A' ' 137' ' ' VAL . . . -179.56 -157.32 19.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.1 m -98.13 108.49 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.403 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.688 ' O ' HD13 ' A' ' 141' ' ' ILE . 0.0 OUTLIER -101.84 74.7 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.005 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 140' ' ' TRP . 23.4 mm -141.89 166.92 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 123' ' ' LEU . . . -114.65 83.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.36 138.2 21.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.48 103.39 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.11 118.12 4.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -154.82 117.47 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.73 155.7 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 3' ' ' SER . 4.5 m . . . . . 0 N--CA 1.452 -0.35 0 N-CA-C 110.428 -0.212 . . . . 0.0 110.428 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 2' ' ' THR . 39.6 t -159.22 98.24 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 4' ' ' THR . 1.5 m 47.07 84.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 p -125.43 39.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.421 ' N ' ' HA3' ' A' ' 145' ' ' GLY . 2.2 p -138.85 161.96 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.04 126.3 2.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.42 -153.9 6.72 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.489 ' H ' HG21 ' A' ' 141' ' ' ILE . 0.8 OUTLIER -117.85 124.29 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.57 102.44 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.22 106.79 10.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.81 177.38 7.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 178.69 154.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.44 174.12 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -105.99 121.81 44.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.75 -40.66 2.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.76 -52.82 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 66.0 83.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -160.4 134.1 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 -59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -69.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.75 -149.26 18.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.61 -91.16 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -168.22 153.5 6.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -136.7 162.47 33.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.15 148.68 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 128.34 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 28' ' ' TYR . 43.4 p90 -109.83 104.85 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 175.06 -166.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -179.09 161.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -171.96 111.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.07 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t70 174.4 -64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.01 84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.04 93.39 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.88 4.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tp -173.41 135.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.41 178.54 24.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.0 t -127.71 145.86 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.4 76.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.77 119.31 4.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.0 p -123.47 173.41 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -129.31 129.1 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -117.68 128.64 55.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.9 136.42 40.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 m -91.36 99.21 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -171.02 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 52.67 -170.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m 69.22 87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 . . . . . 0 N--CA 1.453 -0.295 0 CA-C-O 120.527 0.204 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 119.8 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -103.77 77.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.62 99.07 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.09 114.72 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -163.11 -156.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -177.83 135.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.2 129.41 9.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -90.28 87.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 10.1 t -95.68 149.64 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 66' ' ' THR . . . 165.32 88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.71 162.56 15.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.96 36.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.7 86.23 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -177.41 165.72 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.91 -68.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 73' ' ' ILE . 3.0 tp -161.92 110.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.44 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t0 -113.89 -54.54 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -169.89 88.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.007 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 61.35 170.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.0 t -40.63 156.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.4 tt -115.78 159.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 7.6 p90 -83.57 167.87 16.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 156.25 69.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.5 t -81.11 134.14 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.9 t -126.17 92.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.88 -173.51 30.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.65 137.94 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.45 113.14 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -173.51 167.13 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 122.73 93.62 1.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.44 127.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 178.02 110.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 102' ' ' THR . 12.9 t . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.449 -0.204 . . . . 0.0 110.449 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 m -100.48 166.94 10.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -138.35 166.18 24.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.68 169.06 14.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.59 175.93 21.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.42 137.23 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 0.783 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -115.62 109.07 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -171.48 156.24 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.91 -119.05 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.19 140.32 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.31 138.31 9.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.86 86.02 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.57 92.63 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -136.51 174.72 10.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -103.74 111.15 65.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.39 -62.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.47 -73.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.459 ' OD1' HG21 ' A' ' 5' ' ' VAL . 22.4 t-20 -165.38 82.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.69 136.72 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.01 146.2 27.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -158.96 155.84 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -133.34 130.38 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.91 83.38 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.16 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 127' ' ' TYR . 37.2 p90 -130.63 39.95 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -158.71 125.76 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -133.36 136.02 45.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.26 141.96 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.4 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 2.7 mtt180 49.27 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.535 ' O ' HG22 ' A' ' 132' ' ' ILE . 5.6 mt -98.91 67.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.2 mtp180 78.54 -50.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -34.97 -50.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.4 ' HB ' ' CG ' ' A' ' 131' ' ' ARG . 40.9 t -123.58 92.83 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.52 116.72 26.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 137' ' ' VAL . 55.2 t -145.39 78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.95 -138.47 7.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 5.4 t -175.87 156.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.368 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -168.94 136.53 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.653 HG23 ' N ' ' A' ' 142' ' ' ALA . 0.9 OUTLIER -169.73 -169.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.653 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -112.24 82.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.53 148.82 44.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.4 p -173.98 121.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.421 ' HA3' ' N ' ' A' ' 6' ' ' THR . . . -107.21 -123.64 5.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 4' ' ' THR . 4.7 m-85 -133.69 164.22 27.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 147' ' ' ARG . 5.5 ptt-85 -121.78 117.04 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.418 -0.216 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.58 49.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.63 135.42 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -117.54 133.59 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' THR . 4.7 t -87.21 93.37 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.3 66.95 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.96 156.08 26.78 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.91 -172.02 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.0 118.93 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.24 113.19 14.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -153.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.86 -154.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.93 39.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.38 18.17 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.18 44.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' MET . 1.0 OUTLIER -178.2 -56.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 79.64 -52.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' MET . 1.9 p30 -92.36 -52.79 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.15 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -168.52 98.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.77 174.36 18.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.49 -139.44 10.87 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -100.43 159.47 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.7 49.01 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 40' ' ' ILE . 3.4 mt -174.59 -164.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER 170.7 -87.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -177.61 144.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.807 ' NH1' HG12 ' A' ' 39' ' ' VAL . 4.1 mmt85 -149.07 -175.7 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 30' ' ' TYR . 8.5 p90 -104.21 128.83 51.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.58 142.8 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -154.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.03 -42.75 11.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -126.46 55.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 m -82.27 119.62 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -129.54 108.4 10.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.92 135.79 9.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' NH1' ' A' ' 29' ' ' ARG . 36.9 t -102.38 136.38 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.673 HG22 ' CA ' ' A' ' 68' ' ' GLY . 2.4 tp -125.13 129.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.04 85.81 1.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.45 104.29 13.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -160.12 166.81 29.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.3 p -123.68 147.58 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -85.84 159.63 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 60' ' ' ASN . 3.7 m -81.93 80.23 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.1 170.14 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mmtp 64.23 -101.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.1 p 83.77 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.962 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.453 -0.301 0 CA-C-O 120.541 0.21 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -129.7 109.36 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 166.48 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . 0.562 ' HA ' HG21 ' A' ' 46' ' ' THR . 1.4 m120 -97.31 131.8 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -171.67 84.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -80.4 151.2 29.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -164.65 57.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.28 136.34 12.96 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.463 HG22 HG12 ' A' ' 85' ' ' VAL . 5.5 tp -123.93 152.52 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.79 141.58 23.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.63 98.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.673 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -73.72 -51.18 9.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.3 Cg_endo -74.99 147.02 33.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.25 165.26 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -178.63 172.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 73' ' ' ILE . 2.9 ttt180 68.13 144.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 48.2 -175.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.4 t-20 77.58 151.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.13 -61.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.5 m95 -141.96 67.42 1.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 76' ' ' TRP . . . 178.86 -173.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -128.42 128.01 43.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.6 mt -129.24 115.92 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -178.05 127.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.86 157.87 50.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.9 105.04 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 p -112.34 125.73 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.38 -162.5 11.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 85' ' ' VAL . 7.7 p -150.17 96.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.51 135.2 28.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 3.3 t80 -91.79 148.58 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CE1' ' A' ' 87' ' ' TYR . . . -42.02 103.55 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 53.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -151.52 94.23 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.4 m . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 t -122.11 78.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.28 116.12 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -112.75 149.4 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -98.46 157.36 20.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -124.88 110.2 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -117.61 136.68 53.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -161.59 137.79 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -149.72 -121.43 1.08 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -168.56 179.4 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.87 127.44 5.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tp -143.62 82.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -86.19 130.15 34.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -92.89 155.4 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -120.15 82.33 29.96 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.61 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 7.5 ttt 69.51 40.77 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -75.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -177.38 45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.84 143.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.31 121.37 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.23 164.35 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -179.51 106.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -147.53 176.79 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 86.7 p -177.75 166.1 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -114.55 113.56 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -97.11 153.32 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -128.13 139.77 52.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.617 ' HB2' HG21 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -133.63 160.31 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.03 74.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 135' ' ' VAL . 6.9 mm -104.64 71.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.93 57.76 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.61 74.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 132' ' ' ILE . 88.3 t -140.57 137.56 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.09 148.52 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.617 HG21 ' HB2' ' A' ' 130' ' ' SER . 0.5 OUTLIER -133.5 68.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -69.96 85.4 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 98.0 m -93.07 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -163.58 96.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 142' ' ' ALA . 1.2 tp -146.71 -179.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.52 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -145.4 122.32 11.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.57 166.18 12.54 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.37 121.47 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -104.16 54.1 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.15 111.14 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 131.21 43.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 t . . . . . 0 N--CA 1.453 -0.281 0 N-CA-C 110.396 -0.224 . . . . 0.0 110.396 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -134.63 83.09 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 t -101.08 149.28 24.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.406 ' C ' HG23 ' A' ' 6' ' ' THR . 9.5 p -145.74 146.19 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 5' ' ' VAL . 75.9 p -150.24 168.29 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.77 129.85 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.12 134.63 12.17 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 9' ' ' TYR . 9.1 p90 -176.3 126.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.13 174.39 14.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.0 106.98 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.2 p -78.47 153.25 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -131.85 86.86 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.542 ' HB2' HG22 ' A' ' 137' ' ' VAL . . . -110.46 114.97 28.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 39.09 40.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -127.06 1.82 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -166.67 60.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.9 mtm 61.2 95.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -156.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -122.49 84.05 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.45 166.88 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.89 ' O ' HG23 ' A' ' 46' ' ' THR . . . -116.42 110.35 2.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.83 103.98 1.5 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.34 152.87 30.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -179.25 107.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.71 159.89 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -130.55 163.92 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -143.84 108.92 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 144.56 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 30' ' ' TYR . 18.6 p90 -129.82 77.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -124.19 144.63 49.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -170.36 46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -160.64 36.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 53.26 81.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p 173.2 93.8 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.18 2.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 101.41 3.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.14 -161.76 17.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -126.13 152.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 40' ' ' ILE . 1.8 tt -94.33 92.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.91 57.53 0.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p -108.79 148.56 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -151.19 147.6 27.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 m -104.26 167.77 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 4.8 p90 -167.48 53.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -172.26 163.54 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.57 -165.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 174.61 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 t -133.63 135.01 43.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.979 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' LYS . 15.8 m-85 . . . . . 0 N--CA 1.453 -0.277 0 CA-C-O 120.541 0.21 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.5 m120 64.29 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.1 pttp 46.2 48.11 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -143.94 123.7 13.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 178.01 95.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -90.4 88.15 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 107.41 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.83 -174.04 24.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.59 146.03 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -119.54 161.13 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.8 113.73 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.03 82.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.123 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.64 14.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.28 146.83 29.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -130.03 177.94 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -74.1 -176.31 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -66.63 138.02 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.92 -50.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.0 -57.31 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.605 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER 177.54 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 77.36 -64.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -70.33 132.12 45.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -109.28 116.36 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.08 157.38 18.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.56 47.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 82' ' ' VAL . 10.0 p -88.18 79.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.93 76.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.11 114.0 3.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.2 t -101.97 89.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.8 155.21 25.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.404 ' CE1' ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -137.99 -158.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.13 -163.7 32.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -147.79 164.25 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 16.3 p90 -112.86 128.8 56.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 102' ' ' THR . 15.4 t . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.0 t -153.07 136.12 15.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -159.34 -60.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -167.03 150.43 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 87' ' ' TYR . . . -132.41 -128.48 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -167.19 117.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -170.28 151.92 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.62 105.92 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.137 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.24 -150.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.312 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 48.43 44.06 28.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 tp -151.72 112.81 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 0.797 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -126.63 139.41 53.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.13 144.55 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -168.33 136.83 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 121' ' ' VAL . 18.4 Cg_endo -74.98 -71.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 174.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.01 -87.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -171.06 34.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 117' ' ' PRO . 6.1 p -99.59 144.87 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -164.69 107.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.65 171.07 10.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.5 102.59 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.447 ' CG ' HG23 ' A' ' 141' ' ' ILE . 0.3 OUTLIER 173.41 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.46 -65.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -126.74 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.81 73.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.51 176.32 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.17 112.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -146.73 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 134' ' ' SER . 13.4 tt -91.6 46.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.97 25.7 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 132' ' ' ILE . 0.2 OUTLIER -112.06 -27.73 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 70.9 t -136.13 146.54 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.57 112.42 17.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 14' ' ' ALA . 44.2 t -91.74 156.49 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -133.67 64.72 0.59 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.0 m -94.61 108.49 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -95.02 95.27 8.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.447 HG23 ' CG ' ' A' ' 125' ' ' PHE . 9.5 tp -90.77 150.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -160.66 118.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -90.16 102.16 2.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 73.4 t -92.73 123.58 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 168.17 -165.65 38.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -167.87 165.63 13.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.55 143.19 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' SER . 39.5 m . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.375 -0.232 . . . . 0.0 110.375 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER 159.94 44.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.4 HG23 ' CD ' ' A' ' 29' ' ' ARG . 3.2 t -165.47 39.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 148' ' ' PHE . 29.1 t -93.15 136.14 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -80.01 170.9 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.789 ' HA2' HD22 ' A' ' 26' ' ' LEU . . . -138.34 148.81 20.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.0 145.99 17.26 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 174.2 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 141' ' ' ILE . . . -160.31 -173.89 4.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -126.04 143.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -115.88 154.66 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.61 136.69 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.91 143.63 42.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -62.39 112.12 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.29 76.25 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.34 -50.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.41 96.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -151.2 -170.02 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -115.15 169.46 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.32 159.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 45' ' ' TYR . . . -129.91 -150.92 7.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 45' ' ' TYR . . . -160.17 117.8 0.79 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -145.25 106.98 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -146.91 98.81 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.789 HD22 ' HA2' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -176.94 166.97 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 12.3 tptt -167.08 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 123.43 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.4 ' CD ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -89.15 125.35 35.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.91 96.91 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -155.38 101.72 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -172.8 73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 173.39 -73.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 173.35 80.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.98 115.89 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.19 5.98 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -120.16 111.6 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.1 -126.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.664 HG22 ' HA2' ' A' ' 68' ' ' GLY . 7.4 m -80.4 -152.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.522 ' CG1' ' O ' ' A' ' 40' ' ' ILE . 1.4 tt 177.36 39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 175.95 93.46 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -143.31 174.41 10.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -141.73 168.19 20.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -88.08 152.59 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.616 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.7 p90 -106.82 98.62 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 46' ' ' THR . 1.2 m -104.9 88.74 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 mm-40 -80.59 175.83 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 3.6 tmtt? 86.05 170.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.42 137.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 26.7 p90 . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.509 0.195 . . . . 0.0 110.974 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -40.47 155.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 61' ' ' GLN . 1.9 tttt -70.8 67.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.96 -71.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 tt0 -165.01 -178.56 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.32 160.55 16.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.63 155.81 17.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 139.75 4.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.732 ' H ' HD13 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -125.06 141.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.345 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -103.72 112.73 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.39 117.58 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.664 ' HA2' HG22 ' A' ' 39' ' ' VAL . . . -47.59 -48.25 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.2 Cg_endo -74.99 136.01 19.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 -168.59 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -170.02 175.22 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 51.23 79.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.754 HG21 ' H ' ' A' ' 77' ' ' ALA . 7.2 tp -161.69 158.01 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.11 -46.87 79.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -118.76 -87.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -155.49 95.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.754 ' H ' HG21 ' A' ' 73' ' ' ILE . . . -167.06 -161.64 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.857 ' O ' HG23 ' A' ' 79' ' ' ILE . 53.9 p 57.03 -164.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.857 HG23 ' O ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -168.4 40.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -81.08 121.82 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.53 51.65 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.34 138.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.24 72.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 104.72 1.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.5 p -168.9 112.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.91 -149.21 5.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -151.67 148.51 28.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 154.47 79.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -80.16 -171.37 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -109.38 57.83 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 19.2 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.425 -0.213 . . . . 0.0 110.425 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 p -165.84 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.24 89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -179.47 49.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.61 139.15 10.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -165.67 142.02 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.4 p -116.01 144.91 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -177.15 125.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -178.26 -150.9 8.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.614 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . . . -132.97 146.31 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.545 ' HA3' HD11 ' A' ' 79' ' ' ILE . . . -131.41 -170.84 12.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' ' 112' ' ' GLY . 3.3 mp -145.16 178.87 7.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -154.79 120.08 5.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 114' ' ' GLN . 2.6 t80 162.13 133.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.6 m-20 164.55 81.53 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 122.17 7.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -82.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 -36.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.34 -55.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 122' ' ' ALA . 70.9 t -130.78 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.758 ' HB1' ' O ' ' A' ' 143' ' ' GLY . . . 161.23 86.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -156.9 84.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 1.7 m-20 -162.8 88.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -158.08 149.17 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.751 ' HB3' HD11 ' A' ' 79' ' ' ILE . 48.6 p -161.84 -165.27 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -141.65 115.85 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.53 170.85 13.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.8 163.79 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 131' ' ' ARG . 33.5 p -137.9 76.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 130' ' ' SER . 0.2 OUTLIER 161.76 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.4 pt -104.11 88.5 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 132' ' ' ILE . 5.6 mtm180 38.63 33.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.77 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.616 HG12 HG13 ' A' ' 137' ' ' VAL . 56.2 t -106.54 124.9 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -114.8 89.03 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.616 HG13 HG12 ' A' ' 135' ' ' VAL . 2.9 m -89.64 109.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.27 102.66 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.8 t -118.17 165.85 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -143.83 109.16 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 107.986 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 124' ' ' ASP . 0.1 OUTLIER -86.68 140.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.568 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -87.11 96.33 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . 0.758 ' O ' ' HB1' ' A' ' 122' ' ' ALA . . . -49.1 138.63 15.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 142' ' ' ALA . 3.1 p -178.49 84.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 121' ' ' VAL . . . -114.1 119.69 4.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -165.51 43.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 175.12 116.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.479 ' HA ' ' CG2' ' A' ' 5' ' ' VAL . 44.3 p90 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.384 -0.228 . . . . 0.0 110.384 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -158.32 112.04 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 147' ' ' ARG . 43.0 p -82.36 170.45 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -103.17 83.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -91.6 128.02 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.16 106.59 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.44 173.1 21.28 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.66 137.82 45.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.629 ' HB2' ' CG1' ' A' ' 141' ' ' ILE . . . -122.58 150.11 43.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -103.08 112.06 24.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -84.72 112.56 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.46 ' O ' HG22 ' A' ' 137' ' ' VAL . 0.6 OUTLIER -107.47 152.0 24.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.18 -176.3 4.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.55 -71.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.24 69.89 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.5 48.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.69 51.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 176.08 146.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.94 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 119.39 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.17 44.44 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -81.52 162.66 43.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 23' ' ' GLY . 69.0 m-85 -160.02 145.03 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -132.96 129.8 38.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -147.74 166.2 28.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER 34.29 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.551 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 76.5 t80 -133.2 39.68 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -176.77 98.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -154.26 120.31 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -171.58 166.79 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.53 -177.72 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -116.93 61.77 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 178.33 -54.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.96 118.75 64.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.15 32.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.36 152.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.82 110.36 2.0 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -149.8 77.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 29' ' ' ARG . 4.3 tp -174.27 165.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 65.39 39.38 95.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.78 39.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 27' ' ' LYS . 29.9 m-85 -131.48 104.42 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 44' ' ' THR . 13.6 t -146.8 90.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -145.41 145.89 31.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.6 p -83.88 136.47 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 tm-20 -113.33 82.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 169.05 109.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 5.0 p 169.95 113.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.056 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 57' ' ' TYR . 35.8 ttt180 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 50' ' ' ARG . 4.8 m-85 . . . . . 0 N--CA 1.453 -0.317 0 CA-C-O 120.537 0.208 . . . . 0.0 110.963 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' SER . 55.7 m-20 -79.19 154.38 29.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.97 60.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -45.4 -62.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.7 -170.69 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 179.73 -165.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 49.1 p90 -117.43 140.54 49.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.49 -118.92 1.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 tp -153.42 123.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -108.69 133.66 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.38 111.02 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.73 113.69 4.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 63.14 5.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.49 97.47 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -145.94 94.05 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.56 152.38 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -110.74 -62.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.7 -57.12 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.75 -56.97 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.15 69.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.97 71.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.8 p -76.66 90.98 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.1 pt -137.56 107.34 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 48.4 m-85 -163.62 174.25 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.32 177.26 0.79 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.9 147.73 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.1 p -133.56 144.65 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.42 123.06 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -109.05 98.05 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.14 164.81 54.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.52 167.25 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.07 71.7 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.73 79.15 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 26.4 p90 -105.14 178.62 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.409 -0.219 . . . . 0.0 110.409 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.7 -63.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 52.27 92.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.31 39.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.82 79.24 0.89 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -79.97 137.33 36.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 107.45 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.055 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.55 115.81 20.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -141.96 -150.77 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.84 133.11 19.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.28 151.28 28.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 115' ' ' PHE . 3.5 tt -147.48 101.93 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.12 123.37 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 113' ' ' LEU . 46.2 m-85 -86.38 167.59 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.2 122.49 69.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.75 38.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.2 ttt -151.53 -65.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -109.73 -45.42 3.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 179.3 71.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 121' ' ' VAL . 7.3 p -143.27 108.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.73 70.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 128.83 42.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.477 ' O ' ' CD2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -138.28 76.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 141' ' ' ILE . 1.2 m-85 -164.27 174.3 11.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t 179.52 -81.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.15 169.63 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.0 120.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -87.14 139.12 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.96 105.74 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.956 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.28 89.97 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.436 ' N ' HG12 ' A' ' 135' ' ' VAL . 30.3 mm -79.92 86.5 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.98 54.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.61 78.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.62 HG13 HG23 ' A' ' 137' ' ' VAL . 8.2 p -156.12 140.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 101.55 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.62 HG23 HG13 ' A' ' 135' ' ' VAL . 96.1 t -121.98 115.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -91.13 145.32 17.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 17.5 m -134.22 120.79 20.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -155.09 112.07 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.629 ' CG1' ' HB2' ' A' ' 10' ' ' ALA . 2.7 mp -129.08 150.07 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.6 95.89 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.44 146.3 18.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.4 p -171.38 155.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.82 -161.41 29.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 165.25 17.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.455 ' HA ' HG22 ' A' ' 4' ' ' THR . 3.7 ptp180 -90.41 148.0 23.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 84.2 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.9 p . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.41 -0.218 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.63 74.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -97.48 130.47 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.0 t -106.23 103.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -112.63 114.01 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.9 132.34 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.89 150.49 21.41 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -91.53 136.91 32.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.71 117.29 33.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -171.16 125.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -168.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 152.69 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HB1' HG12 ' A' ' 137' ' ' VAL . . . -172.74 146.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.7 102.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.0 -33.89 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.76 74.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.9 mtt 71.11 97.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -149.89 135.11 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.05 98.62 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 92.24 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.19 108.84 3.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.88 168.78 23.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -130.31 135.04 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.71 134.97 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.21 56.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -66.42 138.94 57.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.62 118.49 30.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -85.92 161.64 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 34.9 t80 -108.24 140.23 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -80.44 154.69 27.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 136.54 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.27 -38.74 91.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 176.46 39.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.66 127.64 16.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.62 71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.79 117.44 3.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -138.12 153.77 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -177.57 179.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 40' ' ' ILE . . . -111.71 -134.98 6.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.16 141.43 15.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.37 114.89 29.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -120.31 -179.94 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.84 97.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -82.5 148.42 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.36 -179.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.9 112.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.422 ' C ' ' CG ' ' A' ' 50' ' ' ARG . 4.6 t -176.45 -62.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.422 ' CG ' ' C ' ' A' ' 49' ' ' SER . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 . . . . . 0 N--CA 1.453 -0.316 0 CA-C-O 120.514 0.197 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -118.53 130.4 55.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -105.55 118.52 36.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -177.83 95.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -143.0 121.34 12.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 87' ' ' TYR . 10.6 m-85 -165.48 165.03 19.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -146.75 156.15 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 65' ' ' ILE . . . 98.71 107.39 2.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' GLY . 4.5 pt -151.68 41.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -158.98 151.34 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -178.27 86.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.5 126.48 0.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 132.92 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.91 166.89 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -57.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 73' ' ' ILE . 8.4 mt 67.5 56.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -74.05 -156.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 76' ' ' TRP . 0.3 OUTLIER -90.96 -33.22 15.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -152.85 47.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 108.004 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.98 122.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.23 -62.84 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 tt -95.34 41.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 8.8 p90 -80.48 149.44 30.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 42.13 83.18 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.812 HG22 ' CD2' ' A' ' 109' ' ' TYR . 4.4 m -105.82 168.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.518 HG22 ' CE1' ' A' ' 107' ' ' PHE . 88.8 t -110.36 123.38 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.48 173.7 30.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 85' ' ' VAL . 56.0 t -137.96 64.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 161.22 17.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.544 ' HB2' ' CE1' ' A' ' 62' ' ' TYR . 7.9 m-85 -113.95 132.87 55.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.76 136.61 13.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.95 156.04 33.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 134.09 35.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.0 p . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.391 -0.225 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -151.05 121.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.966 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.26 -66.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 16.6 p90 -175.33 134.07 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.9 157.6 20.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CE1' HG22 ' A' ' 83' ' ' VAL . 1.6 t80 -179.06 120.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.39 150.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.812 ' CD2' HG22 ' A' ' 82' ' ' VAL . 1.5 t80 -170.5 -147.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -140.85 -94.24 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.092 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' GLY . . . 177.61 162.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -119.91 125.15 6.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 124.0 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -86.64 114.13 23.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 122' ' ' ALA . 43.8 p90 -100.57 -172.69 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -132.48 106.45 13.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.72 32.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.1 ttt -106.57 -50.29 3.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.94 -47.51 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 169.74 83.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.3 m -145.13 166.55 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . . . -140.13 131.06 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 23.6 mt -133.06 88.66 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -142.96 104.97 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' A' ' 141' ' ' ILE . 35.7 p90 -171.7 147.69 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 59.3 p -173.05 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.439 ' N ' ' OG ' ' A' ' 126' ' ' SER . 38.1 p90 -176.26 158.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . 0.53 ' OE1' HG21 ' A' ' 139' ' ' THR . 4.8 pt-20 -138.36 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.464 ' HB3' ' CG1' ' A' ' 135' ' ' VAL . 15.8 mm-40 -129.74 149.61 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 94.5 p -171.84 96.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -177.86 -155.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.8 tt -148.65 93.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 81.99 -44.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' ASP . 14.8 m -82.46 8.46 11.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 129' ' ' GLN . 21.6 t -38.72 98.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' SER . 14.0 t70 -150.67 52.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.596 HG12 ' HB1' ' A' ' 14' ' ' ALA . 15.1 m -115.31 137.05 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -124.02 177.5 16.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.53 HG21 ' OE1' ' A' ' 128' ' ' GLU . 5.0 t -172.73 163.5 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 0.736 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -147.06 72.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 125' ' ' PHE . 14.4 tt -85.2 155.76 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.01 73.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -43.53 115.77 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.06 110.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -179.81 -132.88 1.88 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -177.72 167.36 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 147.74 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.8 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.392 -0.225 . . . . 0.0 110.392 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.6 101.47 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -116.12 110.48 18.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 5' ' ' VAL . 57.8 t -93.71 72.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.9 p -97.3 67.87 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.51 165.01 23.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.36 -95.42 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.78 126.49 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.91 141.67 35.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.4 157.71 16.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -118.51 114.38 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.22 111.41 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -119.61 -165.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -117.71 -58.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.87 15.41 5.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 12.9 mt-30 -90.0 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 63.06 70.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -140.08 121.2 14.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -50.8 135.5 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 ttp -150.16 152.03 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.28 148.95 6.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.94 -91.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -159.3 114.85 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -103.55 103.49 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 pp -117.3 114.54 23.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -65.66 143.18 57.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 11.2 t80 -97.94 116.31 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 1.0 OUTLIER -98.48 127.87 44.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -135.72 93.76 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.74 146.76 27.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -168.9 59.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.56 84.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -176.46 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.63 123.36 7.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.43 4.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.35 -177.17 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . -163.37 37.21 0.32 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 68' ' ' GLY . 1.8 p 177.53 135.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -175.31 42.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.03 140.64 3.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.711 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -139.41 141.72 37.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.03 136.22 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 t -166.69 136.98 3.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -154.49 158.23 39.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 p -85.73 172.3 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -151.7 177.39 10.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.1 OUTLIER 65.1 -91.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER 81.42 160.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.96 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.289 0 CA-C-O 120.504 0.193 . . . . 0.0 110.995 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -92.87 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.07 57.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.8 109.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -150.15 98.54 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -98.31 150.9 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -139.7 71.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.72 86.54 0.82 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER -137.0 70.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.4 HG23 HG12 ' A' ' 83' ' ' VAL . 8.8 t -161.58 40.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . 0.833 ' HB1' ' O ' ' A' ' 81' ' ' GLY . . . -51.48 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' HG22 ' A' ' 39' ' ' VAL . . . 119.88 -175.39 15.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.96 41.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.75 -174.9 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.54 117.55 29.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.32 151.7 27.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.428 ' O ' HD12 ' A' ' 73' ' ' ILE . 2.3 pp -46.61 123.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.73 -44.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.55 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 30.5 m-20 -87.29 -67.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -170.73 69.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.22 171.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.23 115.91 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.32 57.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 80' ' ' TYR . 79.6 t80 -173.7 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.833 ' O ' ' HB1' ' A' ' 67' ' ' ALA . . . -154.21 36.4 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.2 117.54 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 66' ' ' THR . 94.3 t -142.77 150.02 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.79 129.69 1.98 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 m -95.43 103.64 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.77 166.56 12.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.44 97.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.53 -162.76 13.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -178.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.14 95.32 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.3 p -177.22 74.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.73 140.97 16.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -120.46 171.8 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.76 149.86 21.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -119.8 138.43 53.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.23 163.32 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -162.34 117.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.17 -149.13 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -164.4 175.38 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.14 69.23 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.38 120.41 25.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.47 112.29 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -168.17 120.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 172.31 136.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.66 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.9 mtt -128.1 160.98 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.3 pt-20 -44.27 -42.17 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 6.4 m-20 167.22 42.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.96 155.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.18 171.0 14.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 pp -123.41 149.36 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.96 114.76 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.47 131.63 34.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 90.3 p -119.08 92.14 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -104.73 86.78 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -81.19 157.04 25.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -158.96 74.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -82.06 -171.7 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.25 48.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.51 92.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.23 41.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.05 75.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.62 175.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -116.31 102.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.84 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.36 155.28 16.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.4 t -169.25 139.59 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.4 120.72 21.3 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.19 132.58 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -115.47 87.99 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.79 138.84 22.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.8 t -147.47 121.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -166.02 -162.16 16.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.05 136.66 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.06 141.58 34.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 m . . . . . 0 N--CA 1.452 -0.333 0 N-CA-C 110.432 -0.211 . . . . 0.0 110.432 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.42 69.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.658 HG22 ' H ' ' A' ' 5' ' ' VAL . 3.5 m -143.06 -169.71 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.658 ' H ' HG22 ' A' ' 4' ' ' THR . 21.8 m -94.97 140.49 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 28' ' ' TYR . 13.4 t -151.56 111.38 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.16 -163.41 34.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.6 -160.83 9.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.512 ' H ' HD11 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -101.13 -161.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' MET . . . -125.51 87.54 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -118.42 122.17 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -179.43 168.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.42 116.56 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.01 118.36 36.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 137.61 48.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.17 56.47 12.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.08 -54.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.5 ttm 59.11 68.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -110.58 106.67 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -71.05 73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 29.56 76.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.42 33.53 6.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.65 157.39 22.56 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 p90 -159.35 144.96 16.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.31 124.99 50.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -137.27 76.55 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -133.4 -168.23 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.648 ' HA ' HG22 ' A' ' 6' ' ' THR . 15.4 p90 -137.41 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -135.18 -166.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.36 115.61 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -162.47 58.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 168.61 51.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -178.55 51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 43.14 76.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.97 167.18 13.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.919 HD12 ' HB1' ' A' ' 70' ' ' ALA . 2.6 pt? -127.4 177.94 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.51 ' N ' ' HB3' ' A' ' 70' ' ' ALA . . . 58.04 33.42 69.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.1 p -114.08 113.03 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 tt -171.41 144.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.66 65.82 0.47 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 151.55 21.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.89 132.36 53.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 44' ' ' THR . 1.9 m -118.46 74.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -82.82 150.2 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' GLN . 87.7 m -110.05 167.55 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -177.88 119.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 156.38 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -98.08 153.14 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 18.4 p90 . . . . . 0 N--CA 1.453 -0.288 0 CA-C-O 120.531 0.205 . . . . 0.0 111.023 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.37 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -163.72 -178.46 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.31 91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -161.84 108.78 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -179.36 39.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CG ' ' HB2' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -125.06 158.23 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.38 85.71 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.53 138.14 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -156.2 129.59 8.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.68 142.55 28.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.99 125.8 3.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.46 4.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.919 ' HB1' HD12 ' A' ' 37' ' ' LEU . . . -141.61 115.48 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.85 126.96 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 65.41 167.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -157.54 100.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.54 -59.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.1 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.639 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -150.81 62.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 80.06 -68.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.76 170.83 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -132.4 164.1 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -81.52 144.37 31.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.23 80.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.1 m -108.3 162.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.78 101.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 89.25 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.4 m -95.62 79.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.63 148.9 35.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 2.1 m-30 -116.65 105.62 12.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.67 67.84 0.28 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -88.06 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 7.8 p90 -94.88 133.01 39.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 102' ' ' THR . 1.3 t . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.36 144.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.22 173.79 10.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.13 -169.26 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.22 116.06 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.84 97.49 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.14 126.93 55.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.78 91.65 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -106.15 -142.8 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -134.61 157.82 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.75 131.9 10.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.01 120.96 10.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.64 118.37 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -176.21 98.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 177.38 75.29 0.11 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.18 -62.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -67.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.6 p30 177.37 53.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 145' ' ' GLY . 0.6 OUTLIER -139.99 173.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' ' 121' ' ' VAL . . . -119.6 145.25 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -132.71 133.64 43.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.26 156.17 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.91 94.34 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.5 p -49.74 117.06 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.51 103.66 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -132.15 -175.64 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.27 130.34 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.6 p -85.12 -170.46 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -179.29 49.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 12.8 mm -120.77 82.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.403 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 77.68 39.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.51 97.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 136' ' ' ASP . 30.3 t 68.08 166.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.482 ' N ' HG12 ' A' ' 135' ' ' VAL . 2.0 t0 -170.91 -48.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.7 p -176.54 137.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 139' ' ' THR . . . -103.28 -157.85 25.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 138' ' ' GLY . 2.3 p -155.32 112.43 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.37 103.33 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.512 HD11 ' H ' ' A' ' 9' ' ' TYR . 8.4 tp -153.7 159.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -109.71 115.43 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -98.94 120.76 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.423 HG23 HG21 ' A' ' 121' ' ' VAL . 7.4 p -158.02 127.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -113.24 169.63 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -175.74 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.14 150.69 24.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.01 83.4 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -116.51 142.65 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p -145.97 128.6 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -146.18 126.55 14.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.78 88.46 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.88 -160.53 11.01 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -145.5 135.97 24.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.11 170.5 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -162.64 98.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.6 152.52 35.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.432 ' HB3' HG21 ' A' ' 137' ' ' VAL . 1.3 m-20 -94.04 179.82 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.14 83.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 69.01 -72.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.18 79.43 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -145.64 -51.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ttt 59.18 88.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 177.33 95.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.8 -161.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.23 -56.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 -123.63 7.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 24' ' ' PHE . . . -176.85 -105.06 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 93.8 m-85 -161.97 127.5 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.85 83.42 2.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -92.18 92.88 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 142.1 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -152.3 108.9 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' HD2' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -135.38 -157.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -126.81 153.38 45.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.5 116.73 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 5.5 tt0 -140.08 53.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 m-20 170.16 41.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 11.7 m-20 82.04 -50.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 160.61 96.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -64.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 pp -177.61 91.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.462 ' HA3' ' CG ' ' A' ' 69' ' ' PRO . . . -63.68 118.66 13.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 39' ' ' VAL . 75.8 t -99.03 59.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.451 HG22 ' HD2' ' A' ' 29' ' ' ARG . 7.7 pt -80.07 157.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.32 67.62 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 p -89.09 176.23 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 11.9 m-85 -125.05 107.96 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 p -85.32 103.44 14.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -82.77 131.85 35.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.5 p -123.52 111.34 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -112.26 139.58 47.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ARG . 28.8 tttt -118.52 111.2 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m 68.79 -65.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 6.6 m-85 . . . . . 0 N--CA 1.453 -0.319 0 CA-C-O 120.533 0.206 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -102.66 129.38 49.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -137.96 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -56.35 162.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.52 145.77 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.23 137.24 38.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 16.6 t80 -162.15 160.49 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.424 ' O ' ' CE1' ' A' ' 63' ' ' TYR . . . -162.04 -143.65 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 tp -120.37 131.91 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 0.73 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -123.78 141.45 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.03 138.43 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.59 80.92 1.45 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . 0.462 ' CG ' ' HA3' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -75.04 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.58 ' HA ' HG23 ' A' ' 79' ' ' ILE . . . -152.0 139.41 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -95.89 175.16 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 130.1 8.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -121.68 142.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 171.69 -55.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.08 -47.34 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -136.21 87.93 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 107.993 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.45 ' HB2' HG12 ' A' ' 73' ' ' ILE . . . -39.94 -66.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p 60.74 57.33 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.58 HG23 ' HA ' ' A' ' 70' ' ' ALA . 35.2 mt -79.87 158.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.415 ' CD2' ' CB ' ' A' ' 111' ' ' ALA . 18.4 m-85 -130.34 112.03 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -37.38 -87.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.55 HG21 ' HB ' ' A' ' 66' ' ' THR . 6.2 p -173.48 171.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 82' ' ' VAL . 6.2 m -144.46 104.24 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.52 -164.01 12.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 p -146.33 135.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.71 153.49 47.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -105.93 137.54 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.6 84.61 1.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.5 61.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.16 150.35 26.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.998 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 99.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.1 110.12 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -111.91 90.22 3.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.84 79.75 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.75 125.93 25.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.0 p -106.08 127.89 53.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 109' ' ' TYR . 3.7 p90 -140.28 143.79 36.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -179.09 119.96 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.415 ' CB ' ' CD2' ' A' ' 80' ' ' TYR . . . -116.12 148.83 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.609 ' C ' HD23 ' A' ' 113' ' ' LEU . . . 111.01 131.9 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 177.78 40.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.08 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 115' ' ' PHE . 52.6 p90 -85.32 109.12 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 115' ' ' PHE . 3.4 m-20 174.08 65.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.5 ' HG3' HG13 ' A' ' 121' ' ' VAL . 18.4 Cg_endo -75.02 -51.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 178.2 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.99 -85.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 42.7 t30 178.01 57.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.5 HG13 ' HG3' ' A' ' 117' ' ' PRO . 2.8 p -131.34 153.69 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.06 156.46 17.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 pp -175.78 141.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . 0.425 ' HB3' HG23 ' A' ' 141' ' ' ILE . 35.6 m-20 -88.75 137.89 31.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.74 90.78 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.1 p -159.44 155.2 26.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.39 128.41 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -107.76 85.63 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -105.14 125.6 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -87.29 177.17 7.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . 0.403 ' CD ' ' HB ' ' A' ' 135' ' ' VAL . 4.1 mtp180 51.69 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 132' ' ' ILE . 6.4 tt -91.33 43.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 75.34 5.76 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.6 t -84.24 -41.05 17.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 136' ' ' ASP . 84.0 t -133.2 157.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 135' ' ' VAL . 2.3 t70 76.02 166.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 138' ' ' GLY . 1.9 t -137.72 -175.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . 0.732 ' H ' HG12 ' A' ' 137' ' ' VAL . . . -98.63 154.01 19.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.4 t -103.48 142.06 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.96 96.18 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 124' ' ' ASP . 4.6 tp -91.29 137.56 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -168.48 122.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -149.51 -164.29 11.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.054 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.0 p -101.55 153.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -133.18 106.08 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 123.65 50.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 136.01 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 148' ' ' PHE . 22.3 m . . . . . 0 N--CA 1.453 -0.324 0 N-CA-C 110.416 -0.216 . . . . 0.0 110.416 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.77 55.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 12.1 t -131.74 159.69 37.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.53 141.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -117.28 100.12 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.429 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -116.79 133.54 10.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.19 171.55 31.49 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' TYR . . . . . 0.494 ' H ' HG21 ' A' ' 141' ' ' ILE . 68.5 m-85 -129.51 127.13 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.798 ' HB2' HG23 ' A' ' 139' ' ' THR . . . -119.81 132.95 55.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 12' ' ' SER . 15.6 pt20 -171.06 -166.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 11' ' ' GLN . 1.0 OUTLIER 85.62 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.8 114.17 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.11 78.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' HG22 ' A' ' 135' ' ' VAL . 44.4 tt0 74.75 -60.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.04 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 176.04 50.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.262 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.03 73.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASN . . . . . 0.438 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . 29.5 t-20 -172.61 97.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -108.51 54.84 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 178.53 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.22 -72.53 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.47 -170.45 43.51 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -143.94 132.74 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.93 127.26 55.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -151.58 102.57 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.47 -167.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -126.59 175.56 7.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 126.18 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -99.04 61.72 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.28 61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -173.32 56.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t0 176.23 54.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.58 89.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.0 p 179.98 105.99 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.767 ' C ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -84.15 153.2 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.81 163.33 14.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.3 p -151.02 64.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.636 ' N ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -135.36 -174.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.66 -98.37 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.1 p 175.7 -179.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 5.6 p90 -130.64 39.92 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER 177.75 146.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 64.4 t80 -178.29 42.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.98 161.06 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -79.32 -155.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -77.14 -64.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.39 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' TYR . . . . . 0.49 ' O ' ' CB ' ' A' ' 58' ' ' ASN . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.34 0 CA-C-O 120.497 0.189 . . . . 0.0 110.998 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 2.8 t30 81.75 -66.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 40.31 80.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -56.7 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 175.53 141.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.44 129.13 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -102.42 85.44 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.86 119.81 5.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.19 89.14 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.6 m -95.47 75.36 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.94 -70.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.03 -160.15 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.77 146.52 27.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 40.2 t80 -176.68 138.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.71 86.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 78.2 mt 46.7 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -58.94 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -119.58 -56.54 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 76' ' ' TRP . 10.9 t90 176.72 53.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.78 -172.5 2.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -170.56 91.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -125.31 128.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 71' ' ' TYR . 1.3 t80 -177.25 166.79 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.58 163.18 54.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.09 147.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.94 135.46 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.85 143.05 13.63 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.17 121.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.41 151.62 26.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -108.59 134.98 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.31 121.65 12.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 177.33 84.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' GLN . 2.5 p90 -164.69 -169.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.9 pt20 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 102' ' ' THR . 7.4 t . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 110.447 -0.205 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -136.64 69.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.97 99.17 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.28 123.84 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.51 132.63 3.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.18 104.07 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' A' ' 129' ' ' GLN . 23.6 p -84.83 170.58 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.68 119.94 7.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -130.34 155.17 20.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.18 119.43 12.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CD2' ' A' ' 123' ' ' LEU . . . -105.78 94.94 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.1 tp -102.26 142.27 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -92.26 68.81 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.2 96.06 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASN . . . . . 0.441 ' HB2' HG23 ' A' ' 121' ' ' VAL . 19.7 p-10 -140.05 147.23 49.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 118' ' ' MET . 18.4 Cg_endo -74.93 1.42 7.72 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' MET . . . . . 0.512 ' CB ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 82.53 49.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -115.99 -64.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -179.65 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 116' ' ' ASN . 2.4 m -130.53 151.74 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.57 44.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' LEU . . . . . 0.452 ' CD2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -179.41 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.1 -37.36 81.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.13 93.85 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 134.99 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.91 162.64 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -94.03 128.08 40.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 108' ' ' SER . 5.3 mp0 -79.09 -164.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.15 -162.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 177.3 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.9 mt -137.79 154.05 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 132' ' ' ILE . 0.6 OUTLIER -35.83 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.6 OUTLIER -83.45 55.76 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' HG3' ' A' ' 15' ' ' GLN . 13.9 t -152.72 126.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.54 130.34 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.3 109.46 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -74.78 119.68 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' THR . . . . . 0.798 HG23 ' HB2' ' A' ' 10' ' ' ALA . 43.2 m -110.25 81.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.41 90.7 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 142' ' ' ALA . 0.5 OUTLIER -160.76 -167.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ALA . . . . . 0.668 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -136.32 167.57 21.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.65 -163.53 36.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' GLY . 7.3 p -169.67 78.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -118.55 141.58 16.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 31.2 p90 -117.18 72.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.78 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 146' ' ' TYR . 0.0 OUTLIER 164.31 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' PHE . . . . . 0.418 ' CB ' ' HB ' ' A' ' 2' ' ' THR . 11.9 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 21.7 p -126.79 174.65 8.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 110.401 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.0 t 177.61 71.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.958 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.707 HG21 ' O ' ' A' ' 146' ' ' TYR . 6.2 t -163.24 161.93 25.08 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.129 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.497 ' O ' HG13 ' A' ' 5' ' ' VAL . 9.4 p -101.0 114.09 39.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.7 t -115.54 158.06 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 177.94 166.47 34.49 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 0.0 111.024 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -176.42 -132.5 1.64 Allowed Glycine 0 CA--C 1.53 0.979 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 15.4 m-85 -138.62 151.83 47.59 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 0.771 . . . . 0.0 111.003 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -135.56 107.9 7.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.262 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -84.15 146.77 27.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -137.45 132.65 33.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.452 1.095 . . . . 0.0 109.987 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -143.67 88.65 2.0 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 1.114 . . . . 0.0 109.33 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.432 ' HB1' HG13 ' A' ' 135' ' ' VAL . . . -121.4 160.51 23.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 tt0 78.17 17.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 110.299 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 83.07 72.6 1.27 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 90.1 mt-30 43.95 72.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 110.298 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.05 46.12 0.6 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.17 . . . . 0.0 110.991 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -168.59 148.95 4.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.429 1.081 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.16 172.34 13.58 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.518 1.136 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 57.12 -175.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.21 -63.23 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.489 1.118 . . . . 0.0 111.017 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 152.62 -179.11 29.37 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 55.3 p90 -116.65 134.68 54.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 111.023 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -86.5 112.14 21.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -106.34 124.58 49.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.57 128.93 49.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.504 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 3.9 p90 -155.03 121.53 5.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 111.04 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.34 -176.22 4.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 110.313 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -167.3 91.65 0.39 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -153.75 112.28 3.65 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.47 1.106 . . . . 0.0 110.306 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.06 120.57 2.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.285 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.2 m-20 52.83 81.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.432 1.083 . . . . 0.0 109.265 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 176.52 -45.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 32.0 t -170.59 129.57 0.8 Allowed Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.424 1.077 . . . . 0.0 110.05 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 55.87 4.09 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.497 1.788 . . . . 0.0 110.975 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 pp -174.6 127.1 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 109.32 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -132.03 -166.79 11.68 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.531 1.145 . . . . 0.0 111.001 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' O ' HG13 ' A' ' 39' ' ' VAL . 7.7 p -125.98 99.86 6.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.754 . . . . 0.0 109.286 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.951 HD12 ' O ' ' A' ' 68' ' ' GLY . 40.5 mt -87.22 109.42 19.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.343 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -110.33 130.63 9.97 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.522 1.139 . . . . 0.0 110.972 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -137.11 105.97 5.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.455 0.738 . . . . 0.0 109.961 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -112.0 105.45 13.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 12.8 t -136.3 159.01 43.06 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.546 1.154 . . . . 0.0 110.442 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 25.9 m-85 -111.96 160.98 16.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 111.036 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 98.3 m -115.62 111.71 21.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -81.57 80.45 7.93 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.494 1.121 . . . . 0.0 110.263 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -135.45 145.3 47.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.271 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.47 ' CB ' ' HB3' ' A' ' 58' ' ' ASN . 70.3 m 61.3 -178.29 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.03 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 169.52 151.35 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.142 . . . . 0.0 110.321 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -118.78 98.66 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 110.441 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -130.59 46.2 2.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.113 . . . . 0.0 109.337 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 27.2 t -164.5 -65.39 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.14 . . . . 0.0 110.041 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 45.9 p -170.11 34.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 110.005 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 55.1 78.87 0.1 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.466 1.104 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -133.13 65.81 1.58 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 0.742 . . . . 0.0 109.356 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -179.91 -63.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.958 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 49' ' ' SER . 16.5 t-20 -174.78 159.73 2.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.314 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 4.5 mmtt -133.51 172.54 12.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 0.0 109.252 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 59.43 157.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.532 1.145 . . . . 0.0 109.335 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 18.4 mp0 -101.83 176.25 5.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.105 . . . . 0.0 110.268 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -94.14 143.51 26.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.967 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 10.5 m-85 -131.99 126.88 35.07 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.468 1.105 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -132.3 137.1 9.16 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.528 1.143 . . . . 0.0 110.974 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.525 HG23 ' O ' ' A' ' 65' ' ' ILE . 1.0 OUTLIER -122.12 105.73 16.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.425 0.721 . . . . 0.0 109.319 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 83' ' ' VAL . 16.2 m -95.9 151.3 19.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 110.401 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -156.54 155.78 32.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.951 ' O ' HD12 ' A' ' 40' ' ' ILE . . . 173.92 151.57 8.35 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.541 1.15 . . . . 0.0 110.976 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 178.84 6.73 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.538 1.809 . . . . 0.0 110.968 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -117.0 112.08 20.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.303 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -135.93 109.17 7.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.104 . . . . 0.0 110.943 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.535 ' O ' HG22 ' A' ' 73' ' ' ILE . 22.6 ttp180 -80.35 -62.51 1.66 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 72' ' ' ARG . 0.2 OUTLIER 46.34 -171.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 57.98 162.61 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.48 ' OD2' ' CD1' ' A' ' 76' ' ' TRP . 24.0 p-10 -46.98 -49.5 20.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.314 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.498 ' O ' ' CE3' ' A' ' 76' ' ' TRP . 55.6 p-90 -175.22 55.98 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 107.969 -1.122 . . . . 0.0 107.969 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.44 108.06 6.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 109.317 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 30.8 m -63.42 161.35 14.43 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 110.036 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -118.1 150.34 20.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 13.7 p90 -82.8 153.97 24.95 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 1.132 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -178.64 50.5 0.09 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.549 1.156 . . . . 0.0 111.003 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.667 ' O ' HG23 ' A' ' 82' ' ' VAL . 18.0 m -114.94 92.1 2.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.458 0.74 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.46 ' O ' HG23 ' A' ' 66' ' ' THR . 6.3 m -97.77 150.89 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.34 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.6 149.92 21.17 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.463 1.102 . . . . 0.0 111.003 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 8.8 p -135.31 139.59 46.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.335 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -104.93 151.41 17.25 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -176.66 156.39 1.44 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 155.69 179.65 30.95 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.446 1.091 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.4 mtpt -103.51 77.62 1.51 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 0.775 . . . . 0.0 109.337 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.557 ' O ' ' CD1' ' A' ' 90' ' ' PHE . 37.1 p90 -155.17 129.23 8.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 110.988 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.33 -44.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.433 1.083 . . . . 0.0 110.27 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 16.5 m -133.88 119.01 18.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.105 . . . . 0.0 110.423 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.582 HG23 ' O ' ' A' ' 93' ' ' THR . 5.9 t -142.47 89.75 2.18 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.359 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 16.6 tt0 -171.27 33.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.533 ' HB3' ' CD1' ' A' ' 98' ' ' TYR . 1.9 m-85 -159.25 169.52 10.35 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 111.026 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 71.09 5.13 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.465 1.771 . . . . 0.0 110.964 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.9 m 74.74 82.49 0.11 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.378 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.533 ' CD1' ' HB3' ' A' ' 95' ' ' TYR . 0.2 OUTLIER -119.25 -55.5 2.14 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 98' ' ' TYR . 0.7 OUTLIER 47.91 -173.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.333 -179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 4.9 t30 -116.43 -49.75 2.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.48 1.112 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 33.4 t70 63.59 63.52 0.86 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.546 1.154 . . . . 0.0 109.323 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 51.3 p -124.8 61.95 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.554 1.159 . . . . 0.0 110.379 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 73.0 m -45.02 111.66 0.35 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.108 . . . . 0.0 109.982 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -136.97 162.33 33.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.5 m-85 -108.02 118.47 36.83 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -82.79 152.39 30.11 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.457 1.098 . . . . 0.0 110.977 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -111.46 94.16 4.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 0.781 . . . . 0.0 110.946 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.1 t -113.99 115.56 27.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 109.94 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 3.9 p90 -177.53 153.48 0.9 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 1.108 . . . . 0.0 111.029 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -119.39 179.7 16.67 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.118 . . . . 0.0 110.996 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -113.82 161.94 16.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 0.774 . . . . 0.0 109.278 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -97.78 120.37 6.74 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -163.72 71.61 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 0.759 . . . . 0.0 109.292 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 21.2 pt20 -104.76 136.63 43.91 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.339 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.82 173.28 7.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.17 146.28 58.15 Favored Pre-proline 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.272 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 147.21 33.7 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -99.54 -58.01 2.02 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.019 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -119.43 -58.04 1.95 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.309 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -171.33 74.86 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -170.9 141.13 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.455 1.097 . . . . 0.0 109.291 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -137.47 100.84 4.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -90.93 140.58 29.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 109.299 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 17.3 p30 -117.3 144.74 44.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 28.7 m-85 -117.04 101.67 8.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 0.0 111.029 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 3.1 m -129.7 124.95 34.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.58 125.51 39.28 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.532 1.145 . . . . 0.0 111.018 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -114.89 133.52 55.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.359 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.55 156.47 47.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -120.4 169.38 10.37 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.018 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 13.8 ptm180 -154.8 48.79 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 110.334 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.427 ' O ' ' N ' ' A' ' 134' ' ' SER . 5.4 mt -86.26 84.91 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.454 1.096 . . . . 0.0 109.283 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 68.97 -66.23 0.26 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.427 ' N ' ' O ' ' A' ' 132' ' ' ILE . 0.1 OUTLIER -166.16 74.85 0.19 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.027 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.432 HG13 ' HB1' ' A' ' 14' ' ' ALA . 75.3 t -128.67 134.34 64.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.34 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.0 t70 -117.83 120.32 37.57 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 109.353 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 22.4 t -133.5 136.12 54.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.335 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -127.64 92.46 0.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.47 1.106 . . . . 0.0 110.983 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 10.2 t -94.8 158.36 15.53 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.484 0.755 . . . . 0.0 110.384 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -137.3 95.31 3.06 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 108.03 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 8.4 tt -56.79 138.01 18.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.4 ' O ' HG13 ' A' ' 144' ' ' VAL . . . -132.6 53.93 1.98 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -53.98 144.49 27.34 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.443 1.09 . . . . 0.0 110.98 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 144' ' ' VAL . 26.9 m -147.18 65.21 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.5 0.765 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -129.08 -168.15 12.31 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.47 1.106 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.707 ' O ' HG21 ' A' ' 4' ' ' THR . 1.9 t80 -88.06 177.48 6.91 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 0.752 . . . . 0.0 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.67 138.34 44.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 110.314 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.277 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 7.1 t -169.55 136.34 1.65 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 110.405 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.7 t -178.2 153.76 0.8 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 109.99 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.729 HG22 ' O ' ' A' ' 4' ' ' THR . 1.8 m -165.65 56.13 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.43 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.427 ' HA ' ' CA ' ' A' ' 145' ' ' GLY . 28.2 t -80.06 145.12 9.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.276 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 5' ' ' VAL . 1.8 t -178.57 42.28 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 110.385 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -143.29 127.95 3.24 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.457 1.098 . . . . 0.0 110.994 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 165.92 98.69 0.13 Allowed Glycine 0 CA--C 1.531 1.046 0 N-CA-C 110.941 -0.864 . . . . 0.0 110.941 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.1 162.43 13.63 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 0.795 . . . . 0.0 111.009 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -116.95 149.3 40.4 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.12 . . . . 0.0 109.313 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -159.11 82.52 0.78 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -167.59 -179.88 4.56 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.524 1.14 . . . . 0.0 109.957 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -117.75 173.84 6.52 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.468 1.105 . . . . 0.0 109.325 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.414 ' HB1' HG22 ' A' ' 137' ' ' VAL . . . -141.81 143.99 33.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.438 1.086 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER 73.7 -65.78 0.34 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 110.318 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -165.65 -64.51 0.03 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 175.93 92.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 0.748 . . . . 0.0 110.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 3.1 tpt -120.38 -43.24 2.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.097 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 18.4 m-20 -167.35 146.96 5.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.297 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.03 133.35 37.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.107 . . . . 0.0 109.274 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.6 ptm -90.03 162.21 15.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.997 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -136.2 124.38 3.21 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.479 1.112 . . . . 0.0 110.996 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -120.33 148.74 17.75 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.999 -0.84 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.423 ' CD2' HD13 ' A' ' 26' ' ' LEU . 4.5 t80 -140.6 121.49 14.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.566 ' O ' HD12 ' A' ' 26' ' ' LEU . 28.3 t-20 -81.81 134.01 35.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.566 HD12 ' O ' ' A' ' 25' ' ' ASN . 0.1 OUTLIER -163.92 62.28 0.16 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.287 -179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 10.5 mmtm -139.49 173.47 11.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.464 1.102 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.68 ' O ' HG23 ' A' ' 40' ' ' ILE . 49.3 p90 -154.42 175.22 13.83 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.556 1.16 . . . . 0.0 111.033 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 tmm_? -135.07 128.88 33.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -121.54 124.61 44.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.1 tm-20 -122.96 87.99 2.85 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 110.308 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -177.61 100.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 110.319 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 5.7 t0 178.39 -65.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 109.263 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 179.19 38.63 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.8 t -136.71 141.51 35.54 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 110.006 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -27.15 10.3 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.492 1.785 . . . . 0.0 110.99 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.752 HD13 ' O ' ' A' ' 70' ' ' ALA . 0.9 OUTLIER -130.08 178.78 6.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.523 ' O ' HD12 ' A' ' 37' ' ' LEU . . . -96.62 172.65 28.89 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.448 1.092 . . . . 0.0 111.001 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.0 m -142.96 44.82 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 0.774 . . . . 0.0 109.324 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 28' ' ' TYR . 0.7 OUTLIER -176.9 148.1 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 128.78 55.34 0.11 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.586 1.179 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.8 t -157.81 94.27 1.33 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 109.969 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' CD2' ' HA ' ' A' ' 25' ' ' ASN . 3.4 p90 -85.91 138.72 31.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.544 1.152 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 17.4 m -147.86 73.87 1.28 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.493 1.12 . . . . 0.0 110.423 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -122.86 78.76 1.58 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.972 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.437 ' O ' ' CB ' ' A' ' 47' ' ' GLU . 13.4 t -153.04 160.31 42.95 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 0.0 110.418 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 46' ' ' THR . 2.1 mm-40 165.32 149.8 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 110.315 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.6 mtmp? -49.65 139.34 12.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.512 1.132 . . . . 0.0 109.314 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.468 ' OG ' ' CB ' ' A' ' 58' ' ' ASN . 0.9 OUTLIER 62.9 -175.47 0.15 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.048 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 51' ' ' THR . 25.3 ttm180 176.8 -77.39 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.282 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.642 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 0.9 OUTLIER 168.99 148.48 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 110.412 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.642 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . 80.16 30.23 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.282 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -159.56 -47.51 0.05 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.997 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 10.6 t -113.98 -36.62 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 110.013 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 66.35 45.65 84.4 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.413 ' O ' ' CB ' ' A' ' 57' ' ' TYR . 0.5 OUTLIER 174.49 -170.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 0.754 . . . . 0.0 109.34 -180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.413 ' CB ' ' O ' ' A' ' 56' ' ' ASP . 0.2 OUTLIER 68.13 -64.84 0.28 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.997 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' OG ' ' A' ' 49' ' ' SER . 21.5 t30 -135.12 161.28 35.77 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -129.97 -79.76 0.55 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 6.4 t30 -79.45 175.79 10.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.548 1.155 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 19.9 mp0 -85.32 -179.01 6.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.47 1.106 . . . . 0.0 110.257 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -94.65 153.08 18.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 0.0 110.96 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 55.3 t80 -110.92 121.44 45.35 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.996 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -163.01 94.25 0.12 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.426 1.079 . . . . 0.0 110.995 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.5 pt -112.57 136.89 47.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.499 0.764 . . . . 0.0 109.294 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.617 HG23 ' N ' ' A' ' 67' ' ' ALA . 2.6 t -88.08 -161.89 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.617 ' N ' HG23 ' A' ' 66' ' ' THR . . . -171.83 82.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.47 82.24 1.45 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.512 1.133 . . . . 0.0 110.981 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -29.61 8.03 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.548 1.815 . . . . 0.0 111.031 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.752 ' O ' HD13 ' A' ' 37' ' ' LEU . . . -126.3 135.84 52.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 8.5 m-85 -81.39 -171.7 3.42 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 111.036 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 11.9 ptt180 -113.88 23.71 12.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 0.0 110.321 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -140.59 81.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 16.1 p-10 -152.5 127.52 9.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -67.17 -51.18 56.91 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 2.1 t90 -174.8 57.4 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 107.998 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -162.8 148.88 12.4 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 109.339 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 45.2 t -83.24 168.75 16.43 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.14 . . . . 0.0 110.019 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.4 tp -143.87 149.34 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 109.277 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 16.3 p90 -94.22 150.36 20.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 164.92 55.75 0.02 OUTLIER Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.496 1.123 . . . . 0.0 110.987 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 22.5 t -90.23 121.64 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.762 . . . . 0.0 109.333 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.8 m -102.47 105.77 18.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -103.87 146.22 16.31 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 49.9 t -132.53 84.26 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.516 0.774 . . . . 0.0 109.234 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -101.84 119.64 6.55 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.537 1.148 . . . . 0.0 111.039 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 6.2 t80 170.98 134.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 173.56 -161.31 31.94 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 1.0 OUTLIER -90.92 110.54 21.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.477 0.751 . . . . 0.0 109.351 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.443 ' CG ' ' O ' ' A' ' 89' ' ' LYS . 14.0 m-85 -164.25 -171.77 2.51 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.978 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.463 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.7 OUTLIER 74.46 -63.6 0.42 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 110.332 -179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.488 ' O ' ' CB ' ' A' ' 93' ' ' THR . 0.9 OUTLIER 66.54 -69.1 0.13 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.459 1.099 . . . . 0.0 110.403 -179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.488 ' CB ' ' O ' ' A' ' 92' ' ' THR . 2.0 m 82.79 -49.61 0.17 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.504 1.127 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.562 ' O ' ' CG ' ' A' ' 95' ' ' TYR . 3.0 mt-10 164.31 69.98 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.311 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.562 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 1.1 m-85 -178.56 170.65 0.78 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.411 ' O ' ' OG1' ' A' ' 97' ' ' THR . 18.3 Cg_endo -75.02 85.0 1.58 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.524 1.802 . . . . 0.0 110.997 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.411 ' OG1' ' O ' ' A' ' 96' ' ' PRO . 11.5 p 52.33 66.48 1.2 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -124.47 60.98 1.14 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.954 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.56 147.83 0.1 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.9 t-20 -49.98 -23.25 1.9 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.47 1.106 . . . . 0.0 109.343 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 52.67 88.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.7 m -155.24 -56.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.367 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.401 ' O ' ' CB ' ' A' ' 104' ' ' ASP . 0.5 OUTLIER -42.9 -74.04 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.997 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.401 ' CB ' ' O ' ' A' ' 103' ' ' SER . 0.4 OUTLIER 74.66 -62.11 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 5.0 m-85 -134.4 72.48 1.46 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -56.8 136.38 50.08 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.11 . . . . 0.0 110.979 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -105.83 111.0 23.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 0.758 . . . . 0.0 111.039 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 p -124.73 106.21 9.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.015 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 37.9 m-85 -129.11 149.57 50.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 110.997 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.43 ' CA ' ' HB2' ' A' ' 126' ' ' SER . . . -142.9 144.24 13.62 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.514 1.134 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -90.5 141.65 28.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -104.43 79.71 0.3 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.509 1.131 . . . . 0.0 111.001 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -113.97 120.32 40.24 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.547 0.792 . . . . 0.0 109.292 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -123.54 139.28 54.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.307 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -159.22 93.56 1.14 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.535 1.147 . . . . 0.0 110.993 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 t-20 -175.52 120.05 0.32 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 78.12 2.97 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.54 1.811 . . . . 0.0 111.039 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.4 mtt -168.49 74.93 0.11 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 111.01 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.67 -26.25 43.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.251 -179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 53.5 t30 -64.4 -22.86 67.09 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.135 . . . . 0.0 109.312 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.98 109.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.39 153.83 17.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 3.5 mp -130.29 100.77 5.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 6.5 p-10 -113.05 173.51 6.35 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 0.0 109.263 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 13.0 p90 -164.09 149.48 10.6 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 1.137 . . . . 0.0 110.996 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.43 ' HB2' ' CA ' ' A' ' 110' ' ' GLY . 17.4 p -138.25 150.26 46.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 109.996 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.513 ' O ' ' CG ' ' A' ' 127' ' ' TYR . 24.2 p90 -109.33 122.68 47.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -110.07 122.37 47.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 110.34 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -109.63 147.29 33.32 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.338 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.502 ' HB2' HG21 ' A' ' 137' ' ' VAL . 0.1 OUTLIER -116.01 134.51 54.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.43 1.081 . . . . 0.0 110.039 -179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 26.7 mtt180 -102.01 32.54 3.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.27 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 19.5 pt -103.2 53.68 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.518 1.136 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.4 mmm180 54.89 48.28 20.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.314 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.551 ' O ' HG22 ' A' ' 135' ' ' VAL . 3.2 m -133.87 -64.59 0.7 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 109.975 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.551 HG22 ' O ' ' A' ' 134' ' ' SER . 16.8 m 45.83 35.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -145.94 34.21 1.01 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.502 HG21 ' HB2' ' A' ' 130' ' ' SER . 47.1 t -93.43 102.64 13.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -86.69 140.01 16.89 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.513 1.133 . . . . 0.0 110.979 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.9 m -150.37 101.15 2.95 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 0.764 . . . . 0.0 110.383 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -119.83 53.53 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.4 pt -65.58 -177.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.457 1.098 . . . . 0.0 109.327 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -152.74 89.92 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.281 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -66.83 127.26 27.86 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 28.9 m -145.4 123.17 4.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.479 0.752 . . . . 0.0 109.316 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.427 ' CA ' ' HA ' ' A' ' 5' ' ' VAL . . . -129.03 -161.42 10.61 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 110.982 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -142.01 145.64 34.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 0.74 . . . . 0.0 110.971 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -110.85 103.13 11.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.1 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 110.99 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.318 -0.623 . . . . 0.0 109.318 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 55.0 m 50.15 -100.2 0.08 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.115 . . . . 0.0 110.38 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.7 p -162.46 133.15 4.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.952 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.511 HG22 HG12 ' A' ' 5' ' ' VAL . 38.6 m -148.68 -101.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 110.461 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.511 HG12 HG22 ' A' ' 4' ' ' THR . 7.5 p -162.51 144.27 3.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.468 1.105 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 32.5 m -141.38 151.46 43.51 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.441 1.088 . . . . 0.0 110.409 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.7 81.11 0.28 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.509 1.13 . . . . 0.0 110.944 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -54.74 -179.83 0.2 Allowed Glycine 0 CA--C 1.53 0.981 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.726 ' O ' HD13 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -166.19 94.42 0.55 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.475 0.75 . . . . 0.0 111.018 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB2' HD11 ' A' ' 141' ' ' ILE . . . -123.84 95.84 4.72 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -176.62 152.18 0.99 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.41 -66.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 109.997 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -168.95 147.4 3.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.299 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.681 ' HB3' ' HB2' ' A' ' 19' ' ' ASN . . . -118.12 136.18 53.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.3 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.27 70.43 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 110.327 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.429 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -154.59 -79.0 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.481 1.113 . . . . 0.0 110.975 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 175.42 82.19 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 0.747 . . . . 0.0 110.306 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 7.5 mtt 54.57 92.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 110.98 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.681 ' HB2' ' HB3' ' A' ' 14' ' ' ALA . 0.7 OUTLIER -126.22 107.5 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.454 1.096 . . . . 0.0 109.32 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 6.1 mmtm -73.93 91.93 2.05 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.6 85.57 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.06 159.31 21.73 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.514 1.134 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.95 132.94 1.44 Allowed Glycine 0 CA--C 1.531 1.032 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.9 p90 173.83 130.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 0.773 . . . . 0.0 110.979 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.0 p30 164.2 46.94 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.814 HD23 ' N ' ' A' ' 27' ' ' LYS . 4.7 tt -162.93 138.81 7.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.814 ' N ' HD23 ' A' ' 26' ' ' LEU . 0.9 OUTLIER -168.13 97.78 0.44 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.279 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 13.4 m-85 -128.22 110.16 12.15 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.532 1.145 . . . . 0.0 111.047 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.833 ' HB3' HD13 ' A' ' 40' ' ' ILE . 2.4 ptt-85 -138.66 172.37 12.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 110.305 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -131.66 109.65 10.35 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.457 1.098 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -142.09 135.72 29.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.508 ' O ' ' CB ' ' A' ' 33' ' ' ASP . 0.7 OUTLIER -140.02 40.67 1.96 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.478 1.111 . . . . 0.0 110.295 -179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.508 ' CB ' ' O ' ' A' ' 32' ' ' GLU . 2.0 t70 83.26 -50.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 8.0 p30 -137.32 67.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.313 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.1 t -139.46 71.1 38.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.474 1.109 . . . . 0.0 110.015 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 56.63 4.32 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.528 1.804 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -151.29 102.77 2.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -179.88 178.77 48.71 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.462 1.101 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -142.85 128.83 17.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.318 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.833 HD13 ' HB3' ' A' ' 29' ' ' ARG . 7.3 tp -109.1 141.68 23.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 109.333 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -138.45 -165.89 10.46 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.514 1.134 . . . . 0.0 111.006 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 96.0 p -176.22 142.42 0.48 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 0.787 . . . . 0.0 109.981 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -113.01 98.86 7.43 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 111.053 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -91.24 119.25 31.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 110.357 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -99.04 110.45 23.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 23.5 p -86.18 114.86 23.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 1.098 . . . . 0.0 110.404 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -101.89 44.99 0.98 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.62 124.72 37.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.136 . . . . 0.0 109.232 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 9.2 m -174.21 167.04 4.15 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 110.021 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.34 -63.81 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.297 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 19.4 m 62.5 121.77 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.536 1.148 . . . . 0.0 110.371 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 46.26 59.45 3.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.335 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -171.01 -60.38 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 110.015 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 13.2 t -107.97 -38.99 5.66 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.977 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 123.45 45.86 0.28 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.507 1.129 . . . . 0.0 110.961 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -134.77 123.1 23.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 0.758 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.06 33.83 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.2 p30 41.28 89.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.539 1.149 . . . . 0.0 109.338 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 36.2 tptt -41.13 -75.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -173.23 -66.8 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.504 1.128 . . . . 0.0 109.264 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -178.02 148.45 0.51 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 87' ' ' TYR . 0.8 OUTLIER -147.57 161.56 40.87 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 111.01 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 51.4 p90 -172.44 -169.85 0.65 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.539 1.15 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -157.84 163.67 32.81 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.515 1.134 . . . . 0.0 110.97 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 6.8 mt -82.74 137.68 20.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.455 0.739 . . . . 0.0 109.309 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.654 ' O ' ' HB3' ' A' ' 67' ' ' ALA . 99.5 m -112.85 90.9 3.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.654 ' HB3' ' O ' ' A' ' 66' ' ' THR . . . 82.12 -147.95 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 1.083 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.52 -115.0 0.62 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.542 1.151 . . . . 0.0 110.994 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.58 42.14 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.471 1.774 . . . . 0.0 110.963 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -126.02 160.58 29.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 109.32 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -173.19 171.44 4.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.553 1.158 . . . . 0.0 110.978 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 65.8 154.73 0.08 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.274 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 33.4 mt 42.81 83.79 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.507 1.129 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 25.9 t30 -106.92 82.88 1.75 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.535 ' HB2' ' CD1' ' A' ' 76' ' ' TRP . 14.9 p30 -115.05 -50.4 2.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.591 ' CE3' ' OD1' ' A' ' 116' ' ' ASN . 9.2 p-90 -179.85 56.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 108.015 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -165.0 -179.73 5.91 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 78.6 p -162.69 74.85 0.41 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.995 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.46 ' C ' HD12 ' A' ' 79' ' ' ILE . 1.6 pp -127.76 147.73 32.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -176.05 98.41 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.484 1.115 . . . . 0.0 110.971 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 55.92 164.64 0.03 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.496 1.122 . . . . 0.0 111.007 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.9 p -155.84 124.85 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 0.78 . . . . 0.0 109.333 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -173.44 149.32 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -144.75 -172.26 15.14 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.89 55.15 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.513 0.772 . . . . 0.0 109.304 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -108.99 133.04 11.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.53 1.144 . . . . 0.0 111.01 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.557 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 46.7 p90 -178.35 -178.96 0.66 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 111.002 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 45.11 50.49 9.22 Favored Glycine 0 CA--C 1.529 0.938 0 O-C-N 124.567 1.167 . . . . 0.0 111.025 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.35 40.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 0.761 . . . . 0.0 109.299 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.594 ' CD2' ' O ' ' A' ' 90' ' ' PHE . 27.1 p90 -173.35 84.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -72.59 139.55 47.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 110.292 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.577 ' O ' HG23 ' A' ' 92' ' ' THR . 10.3 t -133.94 103.88 6.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.525 HG23 ' N ' ' A' ' 94' ' ' GLU . 10.0 t -125.12 -145.35 0.33 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 110.437 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.525 ' N ' HG23 ' A' ' 93' ' ' THR . 0.6 OUTLIER 166.12 42.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 110.304 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.2 m-85 -162.71 167.62 11.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.108 . . . . 0.0 110.988 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.47 1.47 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.504 1.792 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 32.5 m 64.0 60.76 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.451 1.094 . . . . 0.0 110.405 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -136.57 49.45 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 111.006 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 10.2 pttp -47.07 146.69 1.66 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 6.1 t-20 -117.95 56.2 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.3 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -42.71 156.8 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -134.06 165.14 25.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.343 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.41 100.21 7.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.033 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -171.68 100.46 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.289 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.479 ' O ' HD13 ' A' ' 132' ' ' ILE . 9.2 p90 -93.97 157.29 16.18 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.53 1.144 . . . . 0.0 110.998 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 145.1 153.02 5.75 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.448 1.093 . . . . 0.0 111.029 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 29.7 t80 -173.49 -64.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.549 0.794 . . . . 0.0 110.993 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.7 m -131.82 147.39 52.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 109.975 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 29.1 t80 -161.83 136.74 7.18 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.4 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . 141.92 -100.04 0.25 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 0.0 111.028 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 110' ' ' GLY . . . -179.23 158.97 0.92 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.524 0.779 . . . . 0.0 109.293 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -96.63 157.45 21.28 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.446 1.091 . . . . 0.0 111.024 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 13.4 tp -158.24 119.88 3.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 0.76 . . . . 0.0 109.357 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -104.77 166.83 10.12 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -118.1 158.02 25.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.113 . . . . 0.0 110.995 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.591 ' OD1' ' CE3' ' A' ' 76' ' ' TRP . 1.4 t30 -84.0 141.68 40.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.124 . . . . 0.0 109.288 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 148.25 34.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.434 1.755 . . . . 0.0 110.949 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.0 ttt -107.56 -60.09 1.74 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.487 1.117 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -118.84 -69.27 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 19.9 p-10 -158.46 76.04 0.74 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 10.2 p -166.56 128.6 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.76 100.89 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 109.328 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.32 178.48 5.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -157.22 123.15 4.76 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.329 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -111.54 110.93 21.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 7.4 t -129.06 173.11 10.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.563 1.164 . . . . 0.0 110.051 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -110.46 108.61 18.68 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.116 . . . . 0.0 110.978 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.531 ' HG3' HD11 ' A' ' 141' ' ' ILE . 17.1 mm-40 -103.21 91.5 4.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 0.0 110.25 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.421 ' CG ' ' HA ' ' A' ' 136' ' ' ASP . 3.4 tt0 -167.29 144.35 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.1 p -81.73 179.69 7.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.469 1.106 . . . . 0.0 110.004 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.57 35.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.279 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.479 HD13 ' O ' ' A' ' 105' ' ' TYR . 1.7 pt -115.68 39.28 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 132' ' ' ILE . 2.9 tpp180 36.0 50.33 0.67 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 9.5 t -147.59 -72.11 0.21 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.51 1.131 . . . . 0.0 109.968 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 55.7 t -83.64 144.44 9.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.327 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.421 ' HA ' ' CG ' ' A' ' 129' ' ' GLN . 6.0 t0 -155.66 72.96 0.82 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 81.5 t -82.17 144.84 9.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -78.96 133.41 12.53 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.454 1.096 . . . . 0.0 110.972 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.533 HG23 ' O ' ' A' ' 139' ' ' THR . 12.8 t -85.52 109.34 18.43 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.471 0.748 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 2.3 t90 -138.5 53.96 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.122 . . . . 0.0 108.011 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.726 HD13 ' O ' ' A' ' 9' ' ' TYR . 46.4 mm -74.41 139.46 19.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.489 1.118 . . . . 0.0 109.323 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.401 ' HB2' ' O ' ' A' ' 141' ' ' ILE . . . -179.56 102.14 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -129.73 156.73 21.53 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.152 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.0 m -99.57 110.95 27.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.516 0.774 . . . . 0.0 109.273 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -108.88 146.44 16.6 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.549 1.156 . . . . 0.0 110.965 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.94 -171.31 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.54 123.26 49.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 110.296 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 5.7 t80 . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.466 1.104 . . . . 0.0 111.041 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.41 HG21 ' OE2' ' A' ' 31' ' ' GLU . 56.0 p -128.45 165.87 19.84 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -112.97 76.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 109.968 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.1 t -107.74 152.45 24.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 0.0 110.395 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.468 HG23 ' HB2' ' A' ' 26' ' ' LEU . 14.9 p -124.17 128.04 73.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 6' ' ' THR . 7.0 t -103.21 117.78 35.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 110.441 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.12 83.6 0.96 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.571 1.169 . . . . 0.0 110.941 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -88.55 114.91 4.32 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -106.05 111.39 24.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 0.77 . . . . 0.0 111.058 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.519 ' HB2' HG23 ' A' ' 139' ' ' THR . . . -94.32 134.29 36.97 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -158.15 108.33 2.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.333 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -180.0 -165.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.138 . . . . 0.0 110.024 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -109.38 -164.56 0.94 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.444 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -165.6 106.98 0.76 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.8 tm0? 67.77 -67.62 0.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.126 . . . . 0.0 110.305 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.444 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . -114.46 -109.15 2.79 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.485 1.116 . . . . 0.0 110.989 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -162.32 71.09 0.31 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.288 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.419 ' O ' ' N ' ' A' ' 20' ' ' LYS . 4.2 mpp? -111.54 62.94 0.61 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 110.976 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.424 HD22 ' N ' ' A' ' 19' ' ' ASN . 1.5 m-80 60.57 -86.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.57 1.168 . . . . 0.0 109.343 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.445 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER 77.8 -56.67 0.5 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.994 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 mmt 61.71 -78.93 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 20' ' ' LYS . . . 165.1 -126.03 1.44 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 179.46 -141.42 4.77 Favored Glycine 0 CA--C 1.531 1.034 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -152.46 122.29 6.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 110.968 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -113.24 104.81 12.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.286 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' HB2' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -169.84 134.77 1.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 109.31 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -166.98 -76.82 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.278 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.97 154.01 27.07 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' HA ' HG23 ' A' ' 40' ' ' ILE . 0.3 OUTLIER -131.53 146.78 52.39 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.426 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.4 OUTLIER -124.66 109.89 13.71 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 111.014 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.41 ' OE2' HG21 ' A' ' 2' ' ' THR . 4.4 pt-20 -104.81 175.51 5.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.82 164.57 31.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.515 1.134 . . . . 0.0 110.316 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.4 17.59 11.38 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.427 1.08 . . . . 0.0 109.331 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -162.04 30.2 0.12 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.135 . . . . 0.0 109.342 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -172.05 84.21 0.46 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.441 1.088 . . . . 0.0 110.038 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 62.66 5.89 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.463 1.77 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -144.69 111.53 5.81 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 1.106 . . . . 0.0 109.335 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -82.72 167.75 46.7 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.501 1.126 . . . . 0.0 111.006 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.615 ' O ' HG22 ' A' ' 39' ' ' VAL . 5.6 p -173.82 46.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 0.757 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.452 HG23 ' HA ' ' A' ' 29' ' ' ARG . 3.2 tt -165.47 165.53 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.499 1.125 . . . . 0.0 109.281 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 166.35 -146.52 11.03 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.414 ' CB ' ' N ' ' A' ' 26' ' ' LEU . 9.6 t -143.7 149.47 37.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 0.736 . . . . 0.0 110.055 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.565 ' CD2' ' O ' ' A' ' 43' ' ' PHE . 27.6 p90 -177.41 82.62 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.444 ' HB ' ' CE2' ' A' ' 62' ' ' TYR . 1.5 t -179.4 48.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.382 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 m-85 -165.32 79.56 0.32 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 110.991 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 13.3 t -99.32 155.23 17.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.99 106.09 11.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -47.06 129.44 12.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 0.0 109.298 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 50' ' ' ARG . 16.3 p -72.03 61.68 0.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.444 1.09 . . . . 0.0 109.965 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.0 OUTLIER -38.17 -35.69 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.297 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.702 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 52.6 m 65.95 -68.91 0.12 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.484 1.115 . . . . 0.0 110.367 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.702 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . 84.27 54.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.5 ' O ' ' CB ' ' A' ' 54' ' ' SER . 0.2 OUTLIER -159.85 55.45 0.37 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.98 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.5 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.9 OUTLIER 85.27 -5.16 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.018 179.961 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.422 ' O ' ' N ' ' A' ' 57' ' ' TYR . . . -78.81 -21.09 69.39 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.117 . . . . 0.0 111.008 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 69.51 -67.7 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.598 ' CD1' ' O ' ' A' ' 57' ' ' TYR . 0.3 OUTLIER -177.17 140.52 0.3 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 111.004 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 22.6 t30 -73.09 147.44 44.96 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.285 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -103.76 166.27 10.52 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.419 ' HB2' ' CE1' ' A' ' 90' ' ' PHE . 3.7 t-20 68.6 158.97 0.16 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.353 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -150.01 98.29 2.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.444 ' CE2' ' HB ' ' A' ' 44' ' ' THR . 1.3 t80 -179.93 112.73 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -179.36 45.57 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.439 ' O ' ' CB ' ' A' ' 43' ' ' PHE . . . -148.99 61.76 0.43 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.46 1.1 . . . . 0.0 110.972 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.742 HD13 ' O ' ' A' ' 85' ' ' VAL . 2.8 mp -91.25 122.52 42.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 0.772 . . . . 0.0 109.326 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 14.6 t -167.91 134.18 2.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.43 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.94 -170.58 2.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.42 70.65 0.51 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.433 1.083 . . . . 0.0 111.041 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.46 ' HD2' ' CE1' ' A' ' 80' ' ' TYR . 18.2 Cg_endo -74.97 167.31 27.33 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.782 . . . . 0.0 110.985 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -176.28 122.65 0.17 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.454 1.097 . . . . 0.0 109.305 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 57.4 m-85 -98.95 155.72 17.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.497 1.123 . . . . 0.0 110.987 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.61 ' C ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER 67.44 -165.62 0.21 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.128 . . . . 0.0 110.349 -179.97 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.61 HD13 ' C ' ' A' ' 72' ' ' ARG . 2.3 mm -106.87 -74.69 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -171.63 57.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -116.32 -59.18 2.01 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 179.9 82.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 107.967 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -91.49 -73.49 0.54 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 109.329 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 42.7 m 61.45 42.53 11.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -146.32 76.3 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.11 . . . . 0.0 109.329 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.488 ' HB2' HD22 ' A' ' 113' ' ' LEU . 93.5 t80 -105.61 101.96 11.45 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.984 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -113.92 101.92 1.17 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.455 1.097 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 9.2 p -88.72 163.12 2.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.467 0.745 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 18.6 t -135.65 88.59 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.56 1.162 . . . . 0.0 109.316 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.34 163.23 18.94 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.53 1.144 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.742 ' O ' HD13 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -140.41 69.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.471 0.748 . . . . 0.0 109.295 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -42.56 132.49 4.77 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.486 1.116 . . . . 0.0 110.996 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -79.94 132.71 36.11 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 111.024 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -40.5 156.72 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.16 150.21 28.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.419 ' CE1' ' HB2' ' A' ' 60' ' ' ASN . 0.5 OUTLIER -84.4 -151.24 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.436 ' HG3' ' CA ' ' A' ' 96' ' ' PRO . 7.6 pm0 -147.52 156.27 42.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.44 1.088 . . . . 0.0 110.336 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.823 HG22 ' HG3' ' A' ' 99' ' ' LYS . 14.5 t -134.76 -152.64 0.48 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 110.397 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.469 ' N ' HG23 ' A' ' 92' ' ' THR . 4.1 m 77.22 -64.31 0.32 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 110.404 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -168.64 -39.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 110.264 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -158.58 170.28 9.19 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.493 1.12 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.436 ' CA ' ' HG3' ' A' ' 91' ' ' GLN . 18.4 Cg_endo -75.01 54.9 3.79 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.486 1.782 . . . . 0.0 110.995 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 25.3 p -132.73 -43.85 0.9 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 110.374 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -112.32 66.35 0.64 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.135 . . . . 0.0 111.011 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.823 ' HG3' HG22 ' A' ' 92' ' ' THR . 1.9 tmtt? -176.52 -155.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -103.16 56.25 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.312 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -76.24 59.39 1.37 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.269 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 26.8 m -126.07 111.41 14.65 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.381 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 15.8 p -69.85 97.99 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.502 1.126 . . . . 0.0 110.001 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -96.27 116.55 29.19 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.455 1.097 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 53.1 p90 -141.87 141.83 33.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.442 1.089 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.689 ' HA3' HD13 ' A' ' 132' ' ' ILE . . . -166.43 -109.93 0.22 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.135 . . . . 0.0 110.993 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.407 ' CD1' ' O ' ' A' ' 106' ' ' GLY . 44.7 m-85 -153.1 161.93 41.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 0.764 . . . . 0.0 111.029 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.447 ' HB2' ' CB ' ' A' ' 129' ' ' GLN . 21.9 p -128.68 139.16 52.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.98 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -124.82 131.96 53.39 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.958 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -160.55 -168.92 23.13 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -127.97 154.04 46.03 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.302 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.502 ' O ' HD22 ' A' ' 113' ' ' LEU . . . -170.08 106.5 0.24 Allowed Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.502 HD22 ' O ' ' A' ' 112' ' ' GLY . 1.0 OUTLIER -130.78 -165.79 1.6 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.793 . . . . 0.0 109.3 -179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -137.33 149.4 47.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.125 . . . . 0.0 110.323 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.41 89.59 1.51 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 166.29 80.02 0.01 OUTLIER Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.324 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 88.36 1.25 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 0.0 111.001 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.8 mtt -143.27 -82.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -101.88 -87.28 0.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.15 . . . . 0.0 110.26 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.424 ' OD1' ' N ' ' A' ' 120' ' ' ASN . 4.3 p30 -171.38 63.05 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.425 HG22 ' H ' ' A' ' 122' ' ' ALA . 9.9 p -119.01 167.72 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.536 1.148 . . . . 0.0 109.314 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.425 ' H ' HG22 ' A' ' 121' ' ' VAL . . . -130.79 96.39 4.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 0.0 109.322 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 7.7 tp -93.74 86.01 5.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 109.267 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -151.61 -163.11 1.67 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 109.281 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -177.3 -171.69 0.35 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 110.996 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.425 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 0.0 OUTLIER -165.36 -174.65 3.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.425 ' N ' ' OG ' ' A' ' 126' ' ' SER . 1.4 t80 -172.22 48.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 111.033 -179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.465 ' O ' ' CB ' ' A' ' 129' ' ' GLN . 1.5 tt0 -171.22 167.76 6.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.294 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.546 ' O ' HG23 ' A' ' 137' ' ' VAL . 4.0 mt-30 163.52 43.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 110.274 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 2.3 p -113.52 163.68 14.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 178.24 37.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.441 1.088 . . . . 0.0 110.35 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.741 HG23 ' N ' ' A' ' 133' ' ' ARG . 0.3 OUTLIER -161.37 -148.2 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.51 1.131 . . . . 0.0 109.246 -179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.741 ' N ' HG23 ' A' ' 132' ' ' ILE . 3.3 ttt-85 -60.75 -58.12 9.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.308 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 136' ' ' ASP . 57.8 p -41.26 -45.0 2.81 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.468 1.105 . . . . 0.0 110.03 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.733 ' O ' HG13 ' A' ' 135' ' ' VAL . 0.3 OUTLIER 37.63 33.11 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 109.341 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.442 ' N ' ' O ' ' A' ' 134' ' ' SER . 2.1 t70 -170.5 62.49 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 129' ' ' GLN . 0.3 OUTLIER -127.67 97.77 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.453 1.096 . . . . 0.0 109.307 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -105.59 122.7 7.27 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.519 HG23 ' HB2' ' A' ' 10' ' ' ALA . 9.2 m -137.52 71.37 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 0.754 . . . . 0.0 110.37 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 6.6 t-105 -173.92 169.66 4.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 108.018 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' A' ' 142' ' ' ALA . 0.4 OUTLIER -168.86 -45.95 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.403 ' N ' ' CG2' ' A' ' 141' ' ' ILE . . . -169.62 173.0 6.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.13 134.84 5.73 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.524 ' O ' HG13 ' A' ' 144' ' ' VAL . 4.7 p -132.32 113.61 21.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 109.305 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -119.83 115.55 3.03 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.512 1.133 . . . . 0.0 110.999 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -154.84 112.11 3.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.469 0.747 . . . . 0.0 111.006 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 1.7 mtt85 167.35 -167.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 110.342 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 16.2 t80 . . . . . 0 C--N 1.325 -0.5 0 O-C-N 124.489 1.118 . . . . 0.0 110.993 -179.943 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 109.308 -0.626 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 56.4 m -80.38 148.97 30.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 1.129 . . . . 0.0 110.423 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -96.14 74.51 2.98 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 109.989 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.57 HG23 ' HA ' ' A' ' 146' ' ' TYR . 24.1 m -98.72 134.79 41.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 110.426 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 69.0 t -107.51 102.56 14.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.291 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.417 HG23 HG22 ' A' ' 4' ' ' THR . 4.8 p -135.01 114.95 12.97 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.122 . . . . 0.0 110.38 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.67 -146.39 17.69 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 115.52 -97.63 0.8 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 14.7 m-85 -67.31 132.38 47.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.524 0.779 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -134.76 119.99 18.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.261 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -124.52 165.85 17.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.115 . . . . 0.0 110.279 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 29.4 t -160.05 125.9 4.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.535 1.147 . . . . 0.0 109.975 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -122.42 120.46 34.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -115.95 172.16 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -69.25 71.92 0.28 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 0.0 110.293 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -173.3 -43.66 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.5 tt0 71.56 56.03 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.473 0.749 . . . . 0.0 110.319 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 5.4 tpp -160.45 68.79 0.37 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -156.59 135.77 12.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 37.1 mttt -132.63 86.08 2.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.0 ppp? -102.24 133.81 46.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 111.032 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -135.34 121.0 2.44 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.43 -177.87 35.81 Favored Glycine 0 CA--C 1.53 1.011 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.451 ' O ' ' CG ' ' A' ' 24' ' ' PHE . 35.9 p90 -177.74 120.38 0.1 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 0.76 . . . . 0.0 110.958 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 164.81 101.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.463 1.102 . . . . 0.0 109.279 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -174.55 40.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.274 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.93 83.02 2.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.232 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -150.03 69.58 1.02 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.998 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.4 ptp180 -80.65 159.07 25.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 0.0 110.287 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.672 ' O ' HG12 ' A' ' 39' ' ' VAL . 2.8 t80 -112.98 84.68 2.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -119.08 95.9 5.0 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -105.51 -160.96 0.78 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 110.294 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.27 -57.05 3.55 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 47.8 t-20 -116.39 54.15 0.85 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 83.0 p -91.23 141.91 26.69 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.996 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -84.16 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -164.01 167.69 20.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.315 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 106.27 62.61 0.6 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 110.957 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.672 HG12 ' O ' ' A' ' 30' ' ' TYR . 19.5 m -91.75 52.4 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 0.737 . . . . 0.0 109.29 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.448 HD12 ' HA ' ' A' ' 67' ' ' ALA . 16.6 tt -80.28 135.62 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.462 1.101 . . . . 0.0 109.349 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -166.97 42.21 0.25 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.542 1.151 . . . . 0.0 111.014 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -118.64 116.83 27.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 0.767 . . . . 0.0 110.017 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -168.72 104.84 0.42 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 111.002 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 50.0 m -108.49 157.36 18.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 110.396 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -151.18 94.6 2.06 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -152.04 160.12 43.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -177.94 153.78 0.85 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.147 . . . . 0.0 110.306 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.1 ttmm -69.86 -60.72 2.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.271 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.1 p 59.43 167.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.977 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 55.23 80.52 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.59 1.181 . . . . 0.0 110.278 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 18.9 m -72.94 -66.23 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 110.391 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -176.34 -48.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.323 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.3 m -160.84 67.66 0.32 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.981 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 179.2 -53.35 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 110.015 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -59.36 -68.21 1.79 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 72.54 -64.59 0.39 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 0.745 . . . . 0.0 109.347 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -161.22 107.24 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.003 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -111.09 108.12 17.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.573 1.171 . . . . 0.0 109.311 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -87.7 71.32 9.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.462 1.101 . . . . 0.0 109.297 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -136.11 139.27 42.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 16.2 pt20 -114.43 156.26 24.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.308 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -107.43 92.01 3.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.468 1.105 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -179.94 -163.2 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.545 1.153 . . . . 0.0 111.016 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -170.85 165.79 38.99 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.442 1.089 . . . . 0.0 111.028 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.439 HG23 ' O ' ' A' ' 65' ' ' ILE . 8.1 tt -80.6 116.02 24.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 52.3 p -124.49 113.31 17.95 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 1.123 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.448 ' HA ' HD12 ' A' ' 40' ' ' ILE . . . -77.98 154.75 31.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.128 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -101.93 107.35 3.16 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.527 1.142 . . . . 0.0 110.973 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 95.78 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.481 1.78 . . . . 0.0 111.005 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.28 89.17 7.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -128.93 47.09 2.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.83 144.83 6.12 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.64 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -111.23 -49.39 6.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.416 ' N ' ' CG2' ' A' ' 73' ' ' ILE . 25.3 p30 -171.26 50.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.29 -65.51 1.0 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.525 1.141 . . . . 0.0 109.339 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -172.24 79.4 0.05 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 108.066 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 62.55 132.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -65.67 161.82 19.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 6.3 mt -101.72 115.84 44.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 109.286 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -87.08 107.82 18.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.467 1.104 . . . . 0.0 111.024 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -117.57 80.47 0.31 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.461 1.1 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.444 ' O ' HG23 ' A' ' 82' ' ' VAL . 3.3 m -86.23 117.38 30.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.511 0.771 . . . . 0.0 109.282 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 61.2 t -136.56 122.72 29.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.127 . . . . 0.0 109.293 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -155.38 152.64 24.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.504 1.127 . . . . 0.0 111.051 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 96.4 t -111.55 113.1 43.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.53 0.782 . . . . 0.0 109.297 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -48.85 140.21 11.66 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.508 1.13 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -118.74 96.34 5.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 0.767 . . . . 0.0 111.036 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -109.92 71.44 0.21 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.485 1.116 . . . . 0.0 111.018 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.32 64.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 0.753 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -168.7 177.3 5.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.465 1.103 . . . . 0.0 111.013 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.473 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.0 OUTLIER 175.87 179.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 m -39.7 95.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 1.159 . . . . 0.0 110.408 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.473 ' N ' ' O ' ' A' ' 91' ' ' GLN . 17.1 m -95.6 84.53 3.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 1.121 . . . . 0.0 110.368 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -173.51 -57.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.298 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -106.89 163.71 16.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 111.01 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 64.96 6.09 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.444 1.76 . . . . 0.0 110.975 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.558 ' C ' ' CG ' ' A' ' 98' ' ' TYR . 21.2 m -129.32 -54.28 1.18 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 110.423 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.558 ' CG ' ' C ' ' A' ' 97' ' ' THR . 5.4 p90 36.67 48.44 0.64 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -148.35 78.18 1.42 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -60.49 -52.97 62.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 109.331 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 176.72 -69.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.6 p -128.98 175.19 8.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 110.39 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 87.7 p -179.87 137.15 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 109.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 177.62 -177.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.306 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 43.1 m-85 -102.29 116.44 32.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -101.62 146.71 17.29 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.524 1.14 . . . . 0.0 111.027 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -87.21 134.31 33.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 0.787 . . . . 0.0 111.072 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -109.35 90.55 3.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 1.139 . . . . 0.0 109.974 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -113.57 113.28 24.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.969 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -146.25 175.54 25.66 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.514 1.134 . . . . 0.0 111.058 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -149.12 156.89 42.87 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.525 0.779 . . . . 0.0 109.313 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.402 ' C ' HD13 ' A' ' 113' ' ' LEU . . . -153.81 153.63 24.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.506 1.129 . . . . 0.0 111.063 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.807 ' N ' HD13 ' A' ' 113' ' ' LEU . 0.0 OUTLIER -128.94 -178.02 4.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 0.766 . . . . 0.0 109.332 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -168.05 120.02 0.85 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -108.28 -166.31 1.12 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 111.012 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.5 p30 -124.26 108.06 29.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.55 1.156 . . . . 0.0 109.303 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -84.38 0.0 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.471 1.774 . . . . 0.0 110.986 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 16.8 ptm -159.38 -43.37 0.05 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 110.975 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -103.81 -86.81 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.317 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -174.63 72.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 109.31 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.668 ' O ' HG13 ' A' ' 121' ' ' VAL . 8.1 p -146.28 100.79 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 109.295 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -111.67 173.93 6.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.489 1.118 . . . . 0.0 109.284 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.519 ' O ' HD12 ' A' ' 123' ' ' LEU . 4.2 pp -155.05 122.11 5.51 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.57 -178.72 3.44 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.375 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.446 ' CD1' ' C ' ' A' ' 125' ' ' PHE . 3.2 p90 -169.44 135.84 1.63 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.551 1.157 . . . . 0.0 111.0 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 18.1 m -113.03 131.98 55.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.56 1.162 . . . . 0.0 109.991 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -121.18 120.12 34.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -95.9 176.11 6.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.144 . . . . 0.0 110.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -165.23 169.3 16.13 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.5 t -80.96 137.71 36.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.001 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 tpt180 -150.03 20.05 0.88 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 0.0 110.324 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.435 HG12 ' N ' ' A' ' 133' ' ' ARG . 0.2 OUTLIER -132.93 -139.79 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.281 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.442 ' O ' ' CB ' ' A' ' 134' ' ' SER . 0.8 OUTLIER -41.28 -66.57 0.32 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.115 . . . . 0.0 110.34 179.963 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.442 ' CB ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER 163.21 52.35 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 109.958 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 91.4 t -89.95 131.08 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 109.313 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.08 103.69 12.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 0.0 109.301 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 1.9 p -117.55 157.03 18.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.08 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 171.49 87.68 0.07 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.496 1.122 . . . . 0.0 110.999 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 13.4 t -86.55 172.28 10.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 0.753 . . . . 0.0 110.436 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.4 t-105 -156.44 101.17 2.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 107.997 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 3.6 pt -109.33 167.62 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -140.74 99.79 3.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.61 121.18 6.52 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 57.9 t -112.94 150.46 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 0.773 . . . . 0.0 109.317 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 70.82 161.74 4.13 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.594 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 21.6 p90 -176.33 55.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 0.776 . . . . 0.0 111.01 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.16 131.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.273 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 10.0 t80 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.46 1.1 . . . . 0.0 110.982 -179.987 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.516 HG21 ' HG3' ' A' ' 31' ' ' GLU . 68.8 p -65.3 160.27 22.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.538 1.149 . . . . 0.0 110.389 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -168.88 114.2 0.59 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.48 1.113 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -123.95 142.6 51.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.471 1.107 . . . . 0.0 110.378 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 8.0 p -147.09 121.63 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.462 HG23 ' HA3' ' A' ' 143' ' ' GLY . 3.7 m -152.89 113.47 4.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.4 ' N ' ' HA3' ' A' ' 143' ' ' GLY . . . 141.05 -170.67 24.47 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.434 1.084 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . 0.429 ' O ' ' N ' ' A' ' 10' ' ' ALA . . . 126.91 -77.79 0.39 Allowed Glycine 0 CA--C 1.53 0.987 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.52 ' HB2' ' HB3' ' A' ' 142' ' ' ALA . 1.4 m-85 -48.58 92.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 0.766 . . . . 0.0 110.99 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 8' ' ' GLY . . . -113.77 150.21 33.75 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -152.48 121.91 6.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.4 m 63.8 174.23 0.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.041 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.412 ' O ' HG23 ' A' ' 137' ' ' VAL . 13.3 m-20 -170.37 46.81 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -169.1 131.38 1.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB2' ' CB ' ' A' ' 136' ' ' ASP . 2.2 tt0 -49.27 117.87 2.4 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 110.321 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 41.63 89.14 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.52 1.138 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -165.32 -44.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 0.79 . . . . 0.0 110.306 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.5 ttm 55.7 84.76 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.531 1.144 . . . . 0.0 110.987 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -138.74 128.27 24.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.263 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 66.76 -173.16 0.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 109.327 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -123.52 -49.59 1.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 111.007 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 133.79 -86.75 0.27 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.493 1.121 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.62 -163.49 27.22 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -117.44 116.76 27.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.572 0.807 . . . . 0.0 111.001 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.1 p30 -109.56 167.26 10.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -151.64 88.19 1.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 109.266 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 19.8 mttt -55.25 122.24 10.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -108.76 109.4 20.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.1 128.22 49.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 1.109 . . . . 0.0 110.313 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 50.0 t80 -113.4 127.51 56.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.471 1.107 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.516 ' HG3' HG21 ' A' ' 2' ' ' THR . 9.6 pt-20 -144.16 153.89 42.59 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.483 1.114 . . . . 0.0 110.294 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -134.63 176.11 8.93 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 110.322 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -71.51 -45.75 61.6 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -54.07 -51.52 63.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.23 150.53 1.91 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.979 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 176.98 9.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.465 1.771 . . . . 0.0 111.01 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -175.19 70.35 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.9 134.15 12.04 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.579 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.0 p -172.67 58.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.477 0.751 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER 179.75 146.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.517 1.136 . . . . 0.0 109.32 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.48 76.03 0.07 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.8 m 178.12 71.97 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 0.759 . . . . 0.0 110.025 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 30.6 t80 -155.53 109.81 2.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.736 HG22 ' CE1' ' A' ' 63' ' ' TYR . 3.8 t -142.26 174.99 10.11 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 110.369 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 5.7 m-85 -128.26 151.74 48.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.995 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 44.7 p -85.66 163.16 18.45 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.505 1.128 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -146.76 81.56 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 110.287 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -176.14 -160.47 0.07 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 51.02 -169.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.975 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 57.25 99.85 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.268 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.6 ' O ' HG22 ' A' ' 51' ' ' THR . 1.8 m 48.18 71.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.381 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -128.04 -64.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -4.39 44.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 110.005 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 3.0 t 61.41 44.44 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 110.025 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.4 ' O ' ' CB ' ' A' ' 56' ' ' ASP . . . -98.76 -47.49 1.93 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.46 1.1 . . . . 0.0 110.948 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.565 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 1.7 t70 163.27 -43.41 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 0.784 . . . . 0.0 109.276 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.565 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 53.6 p90 40.4 -163.27 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -157.46 -63.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 109.347 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 179.97 151.94 0.44 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.549 1.155 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -144.06 115.07 7.85 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.503 ' O ' ' CG ' ' A' ' 62' ' ' TYR . 0.0 OUTLIER 173.22 76.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.503 ' CG ' ' O ' ' A' ' 61' ' ' GLN . 84.6 m-85 -162.22 172.61 15.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.736 ' CE1' HG22 ' A' ' 44' ' ' THR . 10.8 t80 -172.97 -173.72 0.99 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 111.011 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -111.89 159.93 13.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.119 . . . . 0.0 111.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.1 pt -126.07 128.16 71.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.547 0.792 . . . . 0.0 109.326 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 62.9 p -141.86 171.2 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 110.424 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.543 ' HB1' HG22 ' A' ' 39' ' ' VAL . . . -172.77 153.16 2.64 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 172.57 133.55 1.67 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.518 1.136 . . . . 0.0 111.016 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -171.3 0.95 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.466 1.771 . . . . 0.0 111.015 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -88.9 145.12 25.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -168.13 175.73 6.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 13.8 mmt180 62.2 132.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.567 1.167 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 5.3 mp -114.55 143.33 24.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -126.0 -169.18 1.96 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.305 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -58.53 -54.34 48.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -167.24 56.38 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.989 -1.115 . . . . 0.0 107.989 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.86 149.93 16.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.45 1.094 . . . . 0.0 109.32 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -97.43 145.95 25.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.989 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.2 mm -131.61 115.37 27.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.53 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 8.5 p90 -125.37 128.2 47.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 0.0 110.98 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -127.22 139.39 11.15 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 21.1 m -133.13 142.87 40.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.446 0.733 . . . . 0.0 109.325 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 11.2 p -125.41 141.46 45.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.541 1.15 . . . . 0.0 109.291 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -148.4 -158.61 8.07 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.467 1.104 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 1.4 m -142.87 104.03 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 0.765 . . . . 0.0 109.285 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -69.2 153.32 52.71 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.496 1.123 . . . . 0.0 110.96 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -106.81 -178.49 3.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.752 . . . . 0.0 110.961 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.428 ' HA3' ' CE2' ' A' ' 90' ' ' PHE . . . -38.23 131.35 1.57 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 111.006 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.5 ttpm? -119.42 73.14 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.784 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.428 ' CE2' ' HA3' ' A' ' 88' ' ' GLY . 7.1 m-85 -91.52 165.3 13.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.944 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -177.17 -56.94 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.287 -179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.54 HG23 ' N ' ' A' ' 93' ' ' THR . 12.9 t -171.69 -153.91 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 110.369 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.54 ' N ' HG23 ' A' ' 92' ' ' THR . 9.2 m -161.2 -96.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 110.406 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.481 ' N ' HG22 ' A' ' 93' ' ' THR . 1.7 tt0 -150.17 -59.73 0.19 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.342 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 13.5 m-85 -117.89 168.44 9.31 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.991 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 55.85 4.07 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.515 1.797 . . . . 0.0 111.032 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.7 t -112.12 -44.32 3.44 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.472 1.107 . . . . 0.0 110.4 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 1.1 m-85 -172.2 -175.33 1.41 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 0.0 111.029 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.4 ' C ' ' OG1' ' A' ' 93' ' ' THR . 0.0 OUTLIER -91.15 -173.05 3.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.122 . . . . 0.0 109.326 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -43.42 -53.66 5.25 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.309 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 173.08 -68.86 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 8.8 t -172.58 -172.97 0.96 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.111 . . . . 0.0 110.363 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 48.5 m -54.71 137.92 43.06 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 110.027 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -140.47 166.47 24.63 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.328 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.9 p90 -173.45 162.71 4.32 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.543 1.152 . . . . 0.0 111.025 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -123.04 -157.68 9.96 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.462 1.101 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.466 ' O ' ' CB ' ' A' ' 108' ' ' SER . 2.7 t80 -147.69 68.15 1.12 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 0.781 . . . . 0.0 111.016 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.466 ' CB ' ' O ' ' A' ' 107' ' ' PHE . 0.4 OUTLIER 162.06 146.57 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 110.001 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.444 ' CD1' ' HB2' ' A' ' 128' ' ' GLU . 0.9 OUTLIER 179.69 46.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 0.0 111.048 179.979 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -157.12 118.42 0.83 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.501 1.126 . . . . 0.0 110.954 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.571 ' O ' ' CD1' ' A' ' 127' ' ' TYR . . . 178.49 80.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 0.751 . . . . 0.0 109.274 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -122.01 179.69 16.16 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 110.966 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -152.29 108.38 3.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.429 0.723 . . . . 0.0 109.327 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 5.0 tp60 -125.75 100.03 6.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.13 . . . . 0.0 110.243 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -168.69 104.79 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 111.013 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.49 ' OD1' ' CB ' ' A' ' 122' ' ' ALA . 2.2 p-10 -146.07 149.63 39.38 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.332 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 55.89 4.08 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.539 1.81 . . . . 0.0 111.018 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.436 ' O ' ' ND2' ' A' ' 116' ' ' ASN . 0.0 OUTLIER -177.32 81.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 -179.967 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -62.22 -18.96 62.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.557 1.161 . . . . 0.0 110.277 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.1 t30 -74.64 -18.86 60.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.4 p -161.61 118.18 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.49 ' CB ' ' OD1' ' A' ' 116' ' ' ASN . . . -114.07 -169.07 1.45 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -131.63 106.26 8.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 0.0 109.324 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.0 p-10 -56.22 136.53 52.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 14.6 t80 -164.17 54.43 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 110.989 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.7 m -108.76 114.5 28.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.013 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.571 ' CD1' ' O ' ' A' ' 111' ' ' ALA . 24.1 p90 -124.5 125.39 44.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 0.0 110.996 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.482 ' H ' HG21 ' A' ' 139' ' ' THR . 3.1 pt-20 -80.71 161.02 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.1 mt-30 -109.86 127.04 54.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.296 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 85.5 p -131.61 128.03 38.3 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 109.973 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.71 36.01 3.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.2 tp -111.95 61.08 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.526 1.142 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.446 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 79.82 -53.72 0.39 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.482 1.114 . . . . 0.0 110.292 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 136' ' ' ASP . 0.5 OUTLIER -43.92 -48.68 8.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 110.033 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 39.0 t 63.79 -79.14 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.347 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.444 ' N ' ' O ' ' A' ' 134' ' ' SER . 0.7 OUTLIER -94.59 95.73 8.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.266 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.412 HG23 ' O ' ' A' ' 13' ' ' ASP . 12.7 p -82.05 142.32 13.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.512 1.132 . . . . 0.0 109.313 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.71 72.56 0.21 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.509 1.131 . . . . 0.0 110.98 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.55 HG23 ' O ' ' A' ' 139' ' ' THR . 8.2 t -101.61 64.94 1.01 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 0.769 . . . . 0.0 110.384 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -80.12 106.71 12.35 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.528 1.142 . . . . 0.0 108.026 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 1.2 pt -104.52 125.35 59.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.52 ' HB3' ' HB2' ' A' ' 9' ' ' TYR . . . -96.24 116.4 28.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 0.0 109.27 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.462 ' HA3' HG23 ' A' ' 6' ' ' THR . . . -126.33 178.21 16.85 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.458 1.099 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 34.5 m -131.31 148.77 32.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.477 0.751 . . . . 0.0 109.354 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -78.64 103.21 1.94 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.147 . . . . 0.0 110.996 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -132.24 145.48 51.35 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 111.029 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 35.6 ptt85 -145.05 131.15 19.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.492 1.12 . . . . 0.0 110.335 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 111.008 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.499 ' H2 ' ' HB2' ' A' ' 147' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.284 -0.635 . . . . 0.0 109.284 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 29.6 m 68.42 -68.86 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.124 . . . . 0.0 110.34 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' N ' ' O ' ' A' ' 1' ' ' ALA . 89.2 p -140.87 170.07 16.44 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.01 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.777 HG22 ' HA ' ' A' ' 147' ' ' ARG . 67.4 p -121.5 176.67 5.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.426 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.546 ' O ' HG12 ' A' ' 5' ' ' VAL . 63.0 t -111.22 70.64 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 11.1 t -121.47 154.05 37.1 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 110.439 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.85 58.1 0.69 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.481 1.113 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -50.33 151.39 4.89 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.017 -0.833 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 79.8 t80 -144.16 141.14 29.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 111.022 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -105.45 156.27 18.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.102 . . . . 0.0 109.323 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -100.24 99.86 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.29 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 20.8 p -71.17 94.85 1.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.495 1.122 . . . . 0.0 109.992 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.604 ' O ' ' HB2' ' A' ' 14' ' ' ALA . 1.4 p-10 -163.4 106.63 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.604 ' HB2' ' O ' ' A' ' 13' ' ' ASP . . . 169.97 -178.99 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.539 1.149 . . . . 0.0 109.336 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 39.5 60.89 1.49 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.554 1.159 . . . . 0.0 110.32 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.07 -26.24 10.04 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.482 1.114 . . . . 0.0 111.016 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 tt0 77.78 26.74 0.62 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 0.757 . . . . 0.0 110.302 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -155.05 89.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 110.963 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -155.99 124.83 6.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.245 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -90.95 102.53 15.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.435 ' SD ' HG11 ' A' ' 137' ' ' VAL . 6.5 ttt -136.47 110.88 8.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 111.04 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -87.48 136.8 14.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.432 1.082 . . . . 0.0 111.011 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.0 138.24 11.58 Favored Glycine 0 CA--C 1.53 1.013 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -152.62 113.7 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 0.755 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -115.73 147.65 40.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -128.5 94.16 3.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 ttpt -41.55 109.98 0.15 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -112.28 85.02 2.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.4 ttt180 -105.75 144.73 32.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 110.299 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -126.28 133.33 51.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.551 1.157 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -98.02 114.96 27.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.305 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -121.6 -173.42 2.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -139.58 61.32 1.55 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -159.19 -51.81 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -94.68 117.87 66.89 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.99 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.54 ' C ' HD13 ' A' ' 37' ' ' LEU . 18.4 Cg_endo -74.97 61.08 5.58 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.483 1.78 . . . . 0.0 111.042 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.54 HD13 ' C ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -171.51 -177.74 2.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -142.11 122.66 2.04 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.468 1.105 . . . . 0.0 111.005 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -82.5 131.1 34.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.534 0.785 . . . . 0.0 109.308 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.45 HD13 ' HA ' ' A' ' 40' ' ' ILE . 7.9 mm -119.68 100.29 9.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -75.63 -172.58 32.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.559 1.162 . . . . 0.0 110.987 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 12.1 p -173.81 146.24 1.23 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.506 0.768 . . . . 0.0 109.992 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 74.7 m-85 -153.23 101.26 2.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.469 1.105 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 1.1 t -118.71 122.09 41.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.376 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.4 p90 -82.42 143.42 31.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 16.9 m -97.86 94.08 6.71 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.358 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.7 tp10 -93.53 109.62 21.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.28 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.451 ' O ' ' N ' ' A' ' 50' ' ' ARG . 2.2 tttt -138.67 161.79 36.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 109.302 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 47.8 -93.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.148 . . . . 0.0 109.977 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' A' ' 48' ' ' LYS . 2.2 ttp85 57.06 101.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.0 m -71.68 -69.48 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.112 . . . . 0.0 110.395 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -166.58 -57.74 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.41 ' O ' ' CB ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -172.58 96.7 0.14 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.517 1.136 . . . . 0.0 110.034 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.41 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 78.64 45.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.952 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -109.51 -59.88 0.52 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.515 1.134 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 178.41 155.37 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.474 0.749 . . . . 0.0 109.266 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -141.85 135.9 30.02 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 111.038 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -77.87 140.0 39.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.481 ' O ' ' CB ' ' A' ' 60' ' ' ASN . 0.0 OUTLIER -50.0 175.19 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.481 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 7.7 t-20 80.42 99.54 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -117.01 166.19 12.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.099 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.515 ' CD1' ' O ' ' A' ' 62' ' ' TYR . 48.4 p90 -80.03 129.22 34.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.462 1.101 . . . . 0.0 110.968 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 17.0 t80 -171.73 40.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.469 ' C ' HD12 ' A' ' 65' ' ' ILE . . . -100.24 142.99 16.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.551 1.157 . . . . 0.0 111.014 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.469 HD12 ' C ' ' A' ' 64' ' ' GLY . 3.8 mp -135.88 96.36 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.6 m -98.53 157.22 16.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 110.39 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -173.75 173.13 3.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.308 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 152.66 158.66 8.6 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 110.985 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -173.41 1.56 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.481 1.78 . . . . 0.0 110.941 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -171.62 90.61 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.342 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.498 ' O ' ' CG ' ' A' ' 71' ' ' TYR . 12.7 p90 -164.51 113.11 1.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.047 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -84.83 -63.75 1.28 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.477 1.11 . . . . 0.0 110.296 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.754 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.0 OUTLIER -164.21 78.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.45 1.094 . . . . 0.0 109.285 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 12.2 t30 43.32 56.85 4.08 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.59 -83.43 0.6 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 175.88 51.63 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 66.33 132.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.63 57.77 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 110.008 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -132.86 122.29 46.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 27.7 p90 -92.65 177.84 5.98 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 94.99 65.96 0.99 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.406 HG22 ' H ' ' A' ' 82' ' ' VAL . 5.3 m -85.95 150.25 3.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.743 . . . . 0.0 109.28 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.621 HG13 ' O ' ' A' ' 83' ' ' VAL . 8.6 p -102.58 105.51 18.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.324 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -100.96 123.76 8.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.518 1.136 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.486 HG13 ' CE2' ' A' ' 87' ' ' TYR . 53.1 t -124.14 82.88 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.498 0.763 . . . . 0.0 109.315 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -98.48 131.84 10.72 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.513 1.133 . . . . 0.0 110.976 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.486 ' CE2' HG13 ' A' ' 85' ' ' VAL . 30.7 m-85 -146.86 100.77 3.36 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.458 0.74 . . . . 0.0 110.957 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -98.38 131.49 10.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.471 1.107 . . . . 0.0 110.98 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -82.73 168.25 17.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.47 0.747 . . . . 0.0 109.233 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 23.6 p90 -91.87 143.52 26.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.143 . . . . 0.0 110.966 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -155.44 63.32 0.61 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.336 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -113.36 103.49 11.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.347 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -138.4 97.55 3.39 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -167.61 -51.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 0.0 110.311 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -80.9 170.4 15.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 136.78 20.94 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.509 1.794 . . . . 0.0 111.023 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 49.4 p 47.61 40.9 12.57 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 110.418 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -46.99 170.53 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 111.02 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 0.0 OUTLIER -69.54 -89.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.346 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.41 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 1.9 t-20 75.84 31.55 0.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 109.31 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.1 t70 -156.33 93.82 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -146.08 150.25 35.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.42 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 41.4 t -136.52 89.63 2.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.565 1.166 . . . . 0.0 110.004 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.26 149.73 24.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.535 1.147 . . . . 0.0 109.246 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.517 ' O ' ' CG ' ' A' ' 105' ' ' TYR . 13.5 p90 -170.99 99.75 0.21 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.154 . . . . 0.0 111.009 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -112.44 152.94 17.71 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.49 1.119 . . . . 0.0 110.96 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -108.55 124.5 50.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 0.79 . . . . 0.0 110.978 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 58.5 m -88.4 141.37 28.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -149.6 141.81 24.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 111.008 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -165.75 -175.32 36.13 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.499 1.124 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -118.63 113.23 20.9 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.491 0.759 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.7 93.99 1.78 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.491 1.119 . . . . 0.0 111.028 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -137.57 99.37 3.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.517 0.774 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -113.14 144.66 42.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.562 1.164 . . . . 0.0 110.3 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -119.88 177.29 5.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 111.014 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 8.4 p-10 -82.24 139.98 45.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.232 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 141.56 26.56 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.468 1.772 . . . . 0.0 111.007 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.9 ttt -71.85 -59.92 2.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.981 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -116.38 -56.49 2.29 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 110.294 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -179.97 83.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 4.2 p -176.82 119.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 109.284 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -97.63 137.26 36.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.539 1.15 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -124.87 85.71 2.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.269 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.5 ' CG ' HD13 ' A' ' 141' ' ' ILE . 36.1 p30 -79.7 152.75 29.73 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 37.2 t80 -141.92 114.92 8.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.29 91.2 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.475 1.109 . . . . 0.0 109.967 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 19.5 m-30 -81.79 127.51 33.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.546 1.154 . . . . 0.0 111.014 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -86.51 80.57 8.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.336 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 21.5 tt0 -82.98 113.46 20.58 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 4.9 m -80.12 158.06 26.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.137 . . . . 0.0 109.968 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -118.92 36.13 4.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.57 1.168 . . . . 0.0 110.331 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.431 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 4.7 mm -80.07 77.19 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.431 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER 78.98 -58.38 0.42 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.25 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.593 ' O ' HG12 ' A' ' 135' ' ' VAL . 91.5 p -177.16 85.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.437 1.086 . . . . 0.0 110.03 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.674 HG13 ' N ' ' A' ' 136' ' ' ASP . 0.4 OUTLIER 83.91 -176.66 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 -179.983 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.674 ' N ' HG13 ' A' ' 135' ' ' VAL . 19.5 t0 176.65 -70.73 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 0.0 109.32 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.435 HG11 ' SD ' ' A' ' 21' ' ' MET . 0.7 OUTLIER -173.95 160.48 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.459 1.099 . . . . 0.0 109.298 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . 77.56 113.78 0.17 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.486 HG23 ' O ' ' A' ' 139' ' ' THR . 15.2 t -174.11 41.45 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 0.774 . . . . 0.0 110.382 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 178.46 104.01 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 107.984 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.69 ' C ' HD12 ' A' ' 141' ' ' ILE . 1.6 pp -110.06 154.96 11.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -172.89 139.44 0.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.522 1.138 . . . . 0.0 109.305 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -176.81 169.6 42.06 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.547 1.154 . . . . 0.0 111.003 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 1.5 m -94.49 168.82 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -127.07 117.97 2.87 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 110.976 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -169.66 102.06 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 0.776 . . . . 0.0 110.996 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.777 ' HA ' HG22 ' A' ' 4' ' ' THR . 0.0 OUTLIER -84.38 153.7 23.29 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 110.332 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.463 ' HB2' ' H1 ' ' A' ' 1' ' ' ALA . 65.4 t80 . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.973 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.645 ' H3 ' ' HB3' ' A' ' 31' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 109.299 -0.63 . . . . 0.0 109.299 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 1.4 m 63.35 -77.7 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.545 1.153 . . . . 0.0 110.474 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 1' ' ' ALA . 4.2 m -89.37 106.18 18.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.995 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -140.92 155.68 46.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.476 1.11 . . . . 0.0 110.426 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.586 ' O ' HG13 ' A' ' 5' ' ' VAL . 6.9 p -132.5 108.5 13.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.133 . . . . 0.0 109.273 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.474 ' OG1' ' CD2' ' A' ' 123' ' ' LEU . 1.0 OUTLIER -89.91 155.42 19.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.46 1.1 . . . . 0.0 110.378 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.872 ' O ' HG22 ' A' ' 141' ' ' ILE . . . -104.64 76.21 0.25 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.492 1.12 . . . . 0.0 110.996 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -100.78 141.91 15.57 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.619 ' CB ' HG21 ' A' ' 141' ' ' ILE . 5.3 t80 -177.86 126.73 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 0.783 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -80.54 117.6 21.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 28.0 pt20 -91.5 130.81 37.27 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.287 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 60.6 p -43.03 127.19 4.13 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.991 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 177.47 91.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 0.0 109.286 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -129.36 -178.3 4.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -77.03 59.87 1.74 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 1.124 . . . . 0.0 110.283 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 69.55 67.59 1.89 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.497 1.123 . . . . 0.0 111.044 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 176.78 44.07 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 0.77 . . . . 0.0 110.328 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 18.9 mtm -74.52 -76.79 0.13 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 111.002 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 74.08 -65.74 0.33 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.421 1.076 . . . . 0.0 109.312 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -179.77 126.27 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.3 ptm -171.57 126.35 0.62 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.109 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -165.84 141.09 6.75 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.527 1.142 . . . . 0.0 110.982 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.411 ' O ' ' CD1' ' A' ' 9' ' ' TYR . . . -121.27 161.37 15.35 Favored Glycine 0 CA--C 1.53 0.978 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -113.2 135.52 53.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 0.745 . . . . 0.0 111.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.66 ' O ' HD22 ' A' ' 26' ' ' LEU . 3.8 m120 -119.22 138.28 53.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 109.353 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.66 HD22 ' O ' ' A' ' 25' ' ' ASN . 4.0 mm? -125.99 152.1 46.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.118 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -124.35 135.8 53.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.273 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -178.92 83.36 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.462 1.101 . . . . 0.0 110.998 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -146.0 -155.14 0.59 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.271 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -105.69 109.95 22.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.645 ' HB3' ' H3 ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER -116.67 141.53 48.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.339 179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -117.31 -170.86 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -78.85 -52.72 7.93 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 29.3 m-20 -148.94 59.11 1.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 43.8 t -93.78 122.88 61.31 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.991 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.47 ' HB3' HD11 ' A' ' 73' ' ' ILE . 18.3 Cg_endo -74.99 56.35 4.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.79 . . . . 0.0 111.032 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER 179.05 105.83 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.63 140.26 15.85 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.471 1.107 . . . . 0.0 111.006 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.9 t -120.24 124.23 72.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.553 0.796 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 21.0 mm -133.5 125.83 50.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.287 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -157.1 124.78 1.48 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.489 1.118 . . . . 0.0 110.991 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.18 -173.89 4.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 0.772 . . . . 0.0 109.984 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 1.9 t80 -106.16 111.09 23.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 110.971 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 43.4 p -129.53 107.16 9.26 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 110.428 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 20.0 p90 -132.87 164.12 27.6 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 73.4 m -111.68 127.22 55.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.436 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -144.01 88.6 1.98 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 110.292 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 178.53 157.61 0.48 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -162.08 -80.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 109.997 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 40.04 89.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.538 1.149 . . . . 0.0 110.253 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.639 ' O ' ' HB2' ' A' ' 52' ' ' ALA . 11.1 t -110.03 -152.87 0.5 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.454 1.096 . . . . 0.0 110.391 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.639 ' HB2' ' O ' ' A' ' 51' ' ' THR . . . 166.91 47.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 172.86 43.58 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 110.021 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -168.69 -44.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 110.024 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 92.67 61.56 1.16 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -141.94 76.09 1.52 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 0.785 . . . . 0.0 109.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -95.6 100.3 12.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 110.991 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 1.5 t30 177.78 -176.35 0.18 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 0.0 109.277 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.1 pttp 175.27 130.58 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.45 1.094 . . . . 0.0 109.288 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 170.22 107.08 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.281 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.418 ' O ' ' CD2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -130.25 -149.05 0.38 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.117 . . . . 0.0 110.304 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.418 ' CD2' ' O ' ' A' ' 61' ' ' GLN . 0.4 OUTLIER -170.76 -163.76 0.33 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.982 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 15.6 p90 -122.63 179.82 4.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.007 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -127.93 -89.11 0.63 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.532 1.145 . . . . 0.0 110.986 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 65' ' ' ILE . 0.9 OUTLIER -168.55 87.86 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.485 0.756 . . . . 0.0 109.302 179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.528 ' O ' HG23 ' A' ' 66' ' ' THR . 8.9 t -87.94 106.8 18.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 110.417 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -95.91 -169.4 1.93 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.07 65.39 0.14 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.548 1.155 . . . . 0.0 110.968 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -163.35 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.477 1.777 . . . . 0.0 110.981 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -119.47 112.0 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.549 1.156 . . . . 0.0 109.308 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.509 ' CD1' ' CE1' ' A' ' 80' ' ' TYR . 0.2 OUTLIER -102.15 161.47 13.67 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 110.988 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 3.0 tpt180 42.83 69.83 0.35 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.259 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.533 ' O ' HG23 ' A' ' 73' ' ' ILE . 6.7 tt -74.62 72.0 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 -93.6 -50.34 5.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.281 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.471 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 12.7 m-20 -118.73 -75.92 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 109.335 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.471 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER 179.56 63.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 108.025 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -175.41 -144.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.281 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 36.2 m 63.15 133.42 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.725 HG23 ' O ' ' A' ' 79' ' ' ILE . 0.0 OUTLIER -168.82 91.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.509 ' CE1' ' CD1' ' A' ' 71' ' ' TYR . 9.1 p90 -129.33 129.24 44.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 110.997 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 114.07 108.31 2.79 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.448 1.093 . . . . 0.0 110.96 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 2.7 p -121.03 135.72 60.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.467 0.745 . . . . 0.0 109.298 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 56.1 t -111.56 94.16 2.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -136.73 120.88 2.24 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.454 ' O ' HG13 ' A' ' 85' ' ' VAL . 13.3 p -111.82 115.02 48.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.563 0.802 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -93.71 161.22 24.74 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -89.31 118.98 29.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.773 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.99 115.39 4.56 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.575 1.172 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.6 tttt -179.63 109.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.764 . . . . 0.0 109.287 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 44.3 p90 -168.43 -169.68 1.11 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.941 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 3.0 mt-30 66.42 177.35 0.22 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.311 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 179.21 -50.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.545 1.153 . . . . 0.0 110.344 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.487 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 2.5 m 76.34 -55.96 0.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.487 ' CB ' ' O ' ' A' ' 93' ' ' THR . 0.8 OUTLIER 85.68 -7.56 0.82 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 110.297 -179.972 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -86.13 168.9 17.06 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 60.18 5.38 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.485 1.781 . . . . 0.0 111.033 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -163.96 -43.45 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.38 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 57.49 164.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 111.044 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -132.2 -76.13 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.558 1.161 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 41.63 59.89 2.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.533 1.146 . . . . 0.0 109.282 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -40.44 153.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 52.1 m -39.51 -84.37 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.423 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 47.59 86.7 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.132 . . . . 0.0 109.958 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 8.4 t0 -119.62 -47.06 2.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 109.296 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.582 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 2.8 p90 -139.81 127.12 21.3 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 111.009 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -129.96 123.92 4.2 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.478 1.111 . . . . 0.0 111.023 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -94.9 120.52 35.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 0.758 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 23.5 p -81.22 114.27 19.92 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 110.032 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -112.3 118.61 35.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -156.69 119.06 0.88 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -93.98 153.49 18.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.529 0.782 . . . . 0.0 109.313 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -101.88 130.47 10.24 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.468 1.105 . . . . 0.0 110.991 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -145.5 95.89 2.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 109.315 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -177.16 -149.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 3.4 t80 -159.23 169.14 24.75 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.972 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -134.78 65.96 67.69 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.33 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -35.25 3.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 110.973 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -135.79 -175.07 3.84 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.142 . . . . 0.0 110.98 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -89.43 -26.79 20.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.45 1.094 . . . . 0.0 110.292 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -51.88 -43.23 63.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 109.326 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 2.3 m -133.5 81.97 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.555 1.159 . . . . 0.0 109.268 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -120.17 78.75 1.38 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.325 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.474 ' CD2' ' OG1' ' A' ' 6' ' ' THR . 0.1 OUTLIER -168.55 -154.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.499 1.125 . . . . 0.0 109.296 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.465 ' H ' HD12 ' A' ' 123' ' ' LEU . 32.3 m-20 -142.19 158.4 43.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.489 ' O ' ' CB ' ' A' ' 126' ' ' SER . 3.1 p90 -151.34 138.89 19.58 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 111.033 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.489 ' CB ' ' O ' ' A' ' 125' ' ' PHE . 0.5 OUTLIER 159.36 -83.61 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.476 1.11 . . . . 0.0 110.045 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 35.4 m-85 -136.03 157.03 47.83 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -177.82 63.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.35 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -155.7 -167.61 2.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.346 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 15.0 m -92.52 170.68 9.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.04 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.82 70.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 24.9 mm -114.14 66.22 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 109.337 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 41.6 56.75 3.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.543 1.152 . . . . 0.0 110.271 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.31 -72.06 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.517 1.136 . . . . 0.0 110.006 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 48.3 t -131.98 123.42 51.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 109.292 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -115.65 102.41 9.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.285 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 95.3 t -95.78 122.66 47.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 109.282 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -70.45 145.98 41.53 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.463 1.102 . . . . 0.0 111.036 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.404 ' O ' ' O ' ' A' ' 126' ' ' SER . 2.2 m -131.03 145.07 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 0.77 . . . . 0.0 110.368 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER 172.22 81.92 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 107.987 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.872 HG22 ' O ' ' A' ' 7' ' ' GLY . 15.4 mm -151.11 -44.67 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -78.17 150.4 33.57 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.526 1.141 . . . . 0.0 109.319 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . 149.79 -18.92 1.11 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.495 1.122 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 14.5 p -112.32 154.33 13.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 0.769 . . . . 0.0 109.287 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -170.52 -178.53 41.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -157.12 147.5 21.16 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 0.75 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.43 147.11 23.63 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 110.35 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 3.9 t80 . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.96 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.408 ' HB3' ' C ' ' A' ' 29' ' ' ARG . . . . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 3' ' ' SER . 1.0 OUTLIER -86.79 166.18 15.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 0.0 110.358 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.463 ' N ' ' CG2' ' A' ' 2' ' ' THR . 0.1 OUTLIER -83.88 57.74 4.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.959 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.3 p -62.8 165.24 6.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 110.398 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 74.1 t -145.77 81.53 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.572 HG23 ' ND2' ' A' ' 25' ' ' ASN . 8.9 t -135.75 149.7 49.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.491 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.38 135.64 3.55 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 0.0 110.978 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -168.56 -126.66 0.86 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 47.3 p90 -175.53 154.52 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 0.757 . . . . 0.0 111.015 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.504 ' HB1' ' OG1' ' A' ' 139' ' ' THR . . . -105.85 138.52 41.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.274 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 10.6 tt0 -85.01 148.66 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 110.312 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.43 ' HB3' ' CA ' ' A' ' 21' ' ' MET . 4.3 t -123.6 90.61 3.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 110.017 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.616 ' HB3' HG11 ' A' ' 137' ' ' VAL . 0.4 OUTLIER -136.31 151.97 50.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.1 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.473 ' HB2' ' O ' ' A' ' 13' ' ' ASP . . . 176.45 119.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.137 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 72.42 -62.19 0.47 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.128 . . . . 0.0 110.303 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -149.38 -63.77 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.533 1.146 . . . . 0.0 110.981 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -168.46 91.58 0.29 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 0.76 . . . . 0.0 110.311 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -45.88 -51.06 13.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -177.88 -76.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -173.12 139.82 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.11 . . . . 0.0 109.331 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.43 ' CA ' ' HB3' ' A' ' 12' ' ' SER . 0.4 OUTLIER -66.05 145.43 55.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.985 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -164.01 58.19 0.27 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -145.81 130.39 3.75 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 17.1 p90 -124.68 157.7 34.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 111.001 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.572 ' ND2' HG23 ' A' ' 6' ' ' THR . 6.2 p-10 -94.04 129.66 40.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 109.265 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -110.35 111.57 22.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.278 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HB3' HG22 ' A' ' 6' ' ' THR . 6.6 ptpp? -67.86 118.27 10.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.254 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -178.11 85.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.565 1.165 . . . . 0.0 110.966 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.408 ' C ' ' HB3' ' A' ' 1' ' ' ALA . 0.5 OUTLIER -173.43 -177.69 1.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.287 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -95.81 83.38 3.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.138 . . . . 0.0 110.942 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -131.43 94.07 3.47 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 110.293 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -138.29 170.83 15.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 110.351 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -47.82 72.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.269 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.0 t30 -47.13 -48.82 23.02 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 109.357 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 t -82.26 116.34 63.01 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.026 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -53.12 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.464 1.771 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.541 HD21 ' CD1' ' A' ' 71' ' ' TYR . 3.0 mm? -102.68 118.62 37.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -145.79 164.98 28.11 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.497 1.123 . . . . 0.0 111.001 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 41.2 t -118.83 143.6 29.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.433 0.725 . . . . 0.0 109.311 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.9 pp -106.96 140.39 25.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.269 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -115.15 179.66 18.3 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.474 1.109 . . . . 0.0 110.987 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.2 p -176.43 87.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.528 0.781 . . . . 0.0 109.998 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -85.77 61.09 6.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.11 . . . . 0.0 111.033 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.475 ' CG2' ' N ' ' A' ' 45' ' ' TYR . 0.8 OUTLIER -112.46 167.57 10.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.381 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.475 ' N ' ' CG2' ' A' ' 44' ' ' THR . 44.0 p90 -110.56 136.93 48.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.965 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 9.0 t -99.06 165.89 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 110.458 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.441 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 2.9 pp20? -86.85 147.19 25.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 11.9 mttt 168.36 51.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.302 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.48 ' O ' ' CB ' ' A' ' 50' ' ' ARG . 5.5 t -119.41 158.58 25.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 110.003 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.48 ' CB ' ' O ' ' A' ' 49' ' ' SER . 2.5 ttt85 82.18 66.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.508 1.13 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.562 HG23 ' O ' ' A' ' 51' ' ' THR . 8.9 t -163.21 57.07 0.19 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 110.451 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.66 ' HB1' ' OD1' ' A' ' 56' ' ' ASP . . . -108.31 -157.92 0.63 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.0 t -96.82 -29.9 13.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.023 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 t -165.88 45.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 0.0 109.976 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 82.34 98.75 0.47 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 110.983 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.66 ' OD1' ' HB1' ' A' ' 52' ' ' ALA . 0.1 OUTLIER -166.82 120.48 1.03 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.539 0.788 . . . . 0.0 109.294 179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 16.8 m-85 -44.14 94.26 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.477 1.111 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.436 ' N ' ' O ' ' A' ' 56' ' ' ASP . 2.3 t30 -101.45 96.06 6.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.549 1.156 . . . . 0.0 109.294 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.565 ' HD3' ' CE2' ' A' ' 62' ' ' TYR . 1.4 ttpp 71.66 -60.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 14.8 t-20 70.55 -64.93 0.35 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -126.61 160.74 29.82 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.132 . . . . 0.0 110.315 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.565 ' CE2' ' HD3' ' A' ' 59' ' ' LYS . 0.1 OUTLIER -131.1 171.02 13.74 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 111.035 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -137.26 130.01 30.26 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -164.37 155.1 26.3 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.487 1.117 . . . . 0.0 110.96 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.1 pp -124.68 132.85 70.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 0.753 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 25.1 p -82.34 109.9 17.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 110.424 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -91.54 93.32 8.91 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.546 1.154 . . . . 0.0 109.303 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -152.32 94.72 0.15 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.004 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -164.22 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.42 1.747 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.78 98.13 3.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.541 ' CD1' HD21 ' A' ' 37' ' ' LEU . 50.8 t80 -158.85 101.89 1.65 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.972 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.541 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.1 OUTLIER 164.05 102.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.288 179.947 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.541 HG23 ' O ' ' A' ' 72' ' ' ARG . 6.7 pt -154.32 114.03 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.345 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER 173.58 -67.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.258 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.76 -52.48 2.22 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.532 1.145 . . . . 0.0 109.325 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.5 OUTLIER -114.66 82.28 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 108.011 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.98 168.58 5.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.307 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 61.55 141.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.968 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 80' ' ' TYR . 31.9 mt -80.43 162.23 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 109.291 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.479 ' N ' ' CG2' ' A' ' 79' ' ' ILE . 1.2 t80 -144.14 65.24 1.3 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.994 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 173.53 96.78 0.1 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.528 1.143 . . . . 0.0 111.03 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 52.6 t -114.38 154.62 15.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.496 0.762 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.52 HG13 ' O ' ' A' ' 83' ' ' VAL . 14.2 p -128.14 106.87 15.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.557 1.161 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -114.08 121.28 5.37 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.5 1.125 . . . . 0.0 110.999 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.577 HG23 ' O ' ' A' ' 85' ' ' VAL . 14.2 m -121.21 107.21 19.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.473 0.749 . . . . 0.0 109.277 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -90.93 78.7 1.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.475 1.109 . . . . 0.0 111.03 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -113.12 145.35 41.08 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 0.778 . . . . 0.0 111.032 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -162.66 -149.22 5.61 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.497 1.123 . . . . 0.0 111.043 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -139.14 129.38 25.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 0.76 . . . . 0.0 109.268 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.558 ' CE1' ' OG1' ' A' ' 102' ' ' THR . 1.2 p90 -112.02 157.3 20.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.988 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.5 ' HG2' ' CD2' ' A' ' 98' ' ' TYR . 13.1 mt-30 -125.94 137.81 53.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.609 ' O ' HG22 ' A' ' 93' ' ' THR . 22.1 m -86.08 80.17 8.91 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 110.412 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.609 HG22 ' O ' ' A' ' 92' ' ' THR . 0.6 OUTLIER 85.25 -15.11 0.54 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.389 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.504 ' CB ' ' O ' ' A' ' 93' ' ' THR . 2.0 tt0 86.68 29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.281 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.542 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER -84.81 -177.54 0.98 Allowed Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.483 1.114 . . . . 0.0 111.026 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.542 ' HD2' ' CG ' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.07 1.89 7.27 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.993 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 97' ' ' THR . 7.6 m -131.6 13.04 4.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.5 ' CD2' ' HG2' ' A' ' 91' ' ' GLN . 38.4 p90 -37.01 -31.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 111.024 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 97' ' ' THR . 0.0 OUTLIER -73.18 62.43 0.66 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.554 1.159 . . . . 0.0 109.3 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 30.1 t-20 -69.98 -67.22 0.5 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.71 134.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.558 ' OG1' ' CE1' ' A' ' 90' ' ' PHE . 3.8 m -161.0 -88.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.108 . . . . 0.0 110.387 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 102' ' ' THR . 69.1 p 53.01 74.13 0.32 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.444 1.09 . . . . 0.0 110.006 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -133.01 176.76 8.21 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 109.251 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 1.9 p90 -169.1 137.5 1.98 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.453 1.096 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -87.32 175.25 45.95 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.531 1.145 . . . . 0.0 110.977 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -135.12 118.72 17.0 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 0.766 . . . . 0.0 111.0 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 44.7 m -141.51 128.84 21.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.441 ' N ' ' CD1' ' A' ' 109' ' ' TYR . 7.4 p90 -157.56 159.16 36.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.547 1.154 . . . . 0.0 111.039 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -142.19 -124.77 1.97 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.538 1.149 . . . . 0.0 110.988 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -150.58 113.55 4.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 0.741 . . . . 0.0 109.314 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.652 ' O ' HD23 ' A' ' 113' ' ' LEU . . . 37.92 -139.18 0.57 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 0.0 111.019 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.652 HD23 ' O ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 165.79 43.46 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.515 0.773 . . . . 0.0 109.268 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -158.72 159.41 35.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.269 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.533 ' CE2' ' O ' ' A' ' 116' ' ' ASN . 6.1 p90 -142.58 -154.97 0.55 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.533 ' O ' ' CE2' ' A' ' 115' ' ' PHE . 0.8 OUTLIER -88.74 118.03 68.91 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.474 1.109 . . . . 0.0 109.342 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 159.9 40.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.971 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 1.4 ptt? 176.02 -45.19 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 111.008 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -79.14 -0.05 30.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 64.27 55.51 1.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.552 1.158 . . . . 0.0 109.283 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 1.2 p -162.56 140.93 2.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -95.22 151.59 19.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.324 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.423 HD23 ' O ' ' A' ' 123' ' ' LEU . 3.1 tt -147.46 78.97 1.48 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -44.35 114.26 0.66 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.465 1.103 . . . . 0.0 109.273 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -97.04 84.52 3.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.505 ' OG ' HG22 ' A' ' 141' ' ' ILE . 80.9 p -104.88 158.34 16.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.117 . . . . 0.0 110.007 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -122.96 143.96 49.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.521 1.138 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -93.12 121.3 34.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.276 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -148.6 112.06 5.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.283 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.554 ' O ' HG23 ' A' ' 135' ' ' VAL . 28.1 p -103.65 174.09 6.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 110.013 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -145.93 71.68 1.27 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.295 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.732 HG23 ' O ' ' A' ' 132' ' ' ILE . 0.2 OUTLIER -138.36 48.7 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.521 1.138 . . . . 0.0 109.334 179.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 62.63 31.48 16.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.273 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.458 ' C ' HG12 ' A' ' 135' ' ' VAL . 2.4 m -149.6 -58.78 0.2 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 130' ' ' SER . 11.0 p 44.33 46.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -98.77 -32.53 11.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.728 HG12 ' H ' ' A' ' 138' ' ' GLY . 1.8 t -145.57 -173.71 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.728 ' H ' HG12 ' A' ' 137' ' ' VAL . . . -169.75 -90.92 0.08 OUTLIER Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.504 ' OG1' ' HB1' ' A' ' 10' ' ' ALA . 1.8 t -175.02 136.27 0.38 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.491 ' CE3' ' O ' ' A' ' 141' ' ' ILE . 0.0 OUTLIER -116.2 140.89 48.84 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 108.042 179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.505 HG22 ' OG ' ' A' ' 126' ' ' SER . 5.5 tt -108.33 167.04 4.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 0.0 109.316 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.485 ' HB2' ' CZ2' ' A' ' 140' ' ' TRP . . . -149.23 148.73 29.94 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 0.0 109.306 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -145.21 155.91 26.7 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.512 1.133 . . . . 0.0 111.055 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.406 ' O ' HG22 ' A' ' 144' ' ' VAL . 7.5 p -147.7 63.39 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 0.777 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 127.21 156.99 9.31 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.444 1.09 . . . . 0.0 110.963 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.496 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 13.5 p90 -175.57 45.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 0.755 . . . . 0.0 111.018 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -175.51 132.72 0.28 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 55.9 t80 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.126 . . . . 0.0 110.996 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 6.7 m 70.63 -61.1 0.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.35 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 74.8 m -133.65 112.69 11.64 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 81.0 p -120.88 106.24 11.45 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.38 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 50.0 t -102.09 115.84 44.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.273 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.8 p -121.14 125.65 47.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.528 1.143 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.63 109.45 0.67 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.536 1.148 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.16 -147.2 5.11 Favored Glycine 0 CA--C 1.531 1.035 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -115.28 -167.93 1.32 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.486 0.756 . . . . 0.0 111.017 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -156.49 110.67 2.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.314 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -152.15 163.15 39.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.301 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 46.1 m -116.18 142.24 47.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.967 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -143.08 112.65 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.446 ' O ' ' N ' ' A' ' 16' ' ' GLY . . . -178.03 -179.69 0.77 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.29 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 tp60 55.83 -87.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 1.145 . . . . 0.0 110.255 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 14' ' ' ALA . . . 166.23 68.79 0.03 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.537 1.148 . . . . 0.0 111.001 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 77.66 59.28 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 16.8 tpt -99.12 60.15 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 111.011 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 70.1 m-80 61.59 123.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.38 154.66 2.67 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -149.63 -64.7 0.22 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.992 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.97 -172.98 28.17 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 160.88 -161.85 33.12 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 110.966 -0.854 . . . . 0.0 110.966 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -120.26 161.76 20.56 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.446 0.733 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 22.0 p-10 -133.21 130.27 38.87 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.559 1.162 . . . . 0.0 109.317 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.5 161.63 21.94 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -150.19 147.27 27.51 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -123.4 138.75 54.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 111.03 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.34 155.54 22.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 110.276 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -178.7 47.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 111.005 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -151.87 166.64 30.83 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 110.309 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -149.12 177.31 9.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.292 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.08 5.11 23.52 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.303 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.1 t30 -104.89 -12.27 16.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.1 m -158.63 98.01 1.73 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 79.74 2.59 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.546 1.814 . . . . 0.0 111.0 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tp -161.06 86.13 0.69 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.082 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.86 166.75 14.21 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.456 1.098 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.8 t -130.85 122.88 53.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.49 0.759 . . . . 0.0 109.284 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.3 pt -102.98 66.71 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.356 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -96.41 117.07 5.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.552 1.158 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.5 m -143.29 168.58 19.45 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 0.799 . . . . 0.0 110.033 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.579 ' O ' ' CD1' ' A' ' 43' ' ' PHE . 16.4 p90 -122.83 136.2 54.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 111.011 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 64.3 m -126.34 163.71 22.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.36 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.598 ' O ' ' CD1' ' A' ' 45' ' ' TYR . 2.1 p90 -141.21 132.84 27.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 20.3 m -102.31 158.26 16.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 0.0 110.44 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -113.57 45.41 1.43 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.4 tptt -128.44 159.02 36.72 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 109.298 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 5.1 t 76.99 -157.6 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 0.0 109.985 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 ttp85 44.04 88.49 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 11.0 m 63.41 85.65 0.13 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.399 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.81 -71.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.6 t -90.49 -76.78 0.42 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 110.024 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 23.1 t -165.88 31.27 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.13 . . . . 0.0 110.013 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.412 ' O ' ' N ' ' A' ' 57' ' ' TYR . . . -94.32 -26.83 12.95 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 65.69 -79.07 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 0.749 . . . . 0.0 109.268 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.412 ' N ' ' O ' ' A' ' 55' ' ' GLY . 42.4 m-85 -147.38 111.36 5.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.448 1.092 . . . . 0.0 110.997 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.475 ' O ' ' CB ' ' A' ' 59' ' ' LYS . 23.5 p-10 -175.4 108.67 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.316 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 0.0 OUTLIER 165.77 -75.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 0.0 109.325 -179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.455 ' CB ' ' O ' ' A' ' 59' ' ' LYS . 0.8 OUTLIER 79.05 -64.49 0.24 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.307 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 17.0 pt20 -165.44 140.4 4.99 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.288 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 10.6 t80 -80.42 115.24 19.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -109.63 145.71 36.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.67 90.34 0.12 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.551 ' CG1' HG12 ' A' ' 85' ' ' VAL . 1.1 pt -83.4 109.31 16.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.462 0.742 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -127.38 138.54 53.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.144 . . . . 0.0 110.393 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -127.13 103.3 7.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.499 1.124 . . . . 0.0 109.32 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -138.51 108.35 0.61 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.502 1.126 . . . . 0.0 110.997 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -169.62 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.457 1.767 . . . . 0.0 110.98 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -137.23 111.62 8.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.296 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -108.76 152.91 24.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.458 1.099 . . . . 0.0 111.003 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -162.11 70.42 0.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.456 ' O ' HD13 ' A' ' 73' ' ' ILE . 0.2 OUTLIER -109.57 -44.74 6.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 0.0 109.324 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.8 m120 175.11 68.43 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.316 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.09 -74.58 0.6 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 109.345 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.67 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.1 OUTLIER -171.67 55.57 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.979 -1.119 . . . . 0.0 107.979 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.67 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 83.51 -68.2 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.31 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 57.4 p -174.71 111.55 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 14.4 tt -148.87 151.46 13.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -178.01 134.27 0.16 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 111.02 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -73.54 158.13 52.31 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.567 HG21 ' HB2' ' A' ' 128' ' ' GLU . 33.7 m -102.3 177.73 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.52 0.776 . . . . 0.0 109.319 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -174.54 121.88 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 109.329 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.44 ' HA3' ' CE2' ' A' ' 107' ' ' PHE . . . -148.65 -173.53 19.52 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.543 1.152 . . . . 0.0 110.964 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.643 ' O ' HG13 ' A' ' 85' ' ' VAL . 12.1 p -137.59 93.72 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.516 0.774 . . . . 0.0 109.29 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -53.36 159.43 3.96 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.523 1.139 . . . . 0.0 111.021 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.677 ' CE2' ' CE2' ' A' ' 90' ' ' PHE . 2.8 t80 -158.06 72.21 0.62 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 0.755 . . . . 0.0 111.005 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -91.88 39.69 3.0 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.485 1.115 . . . . 0.0 111.007 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.597 ' O ' ' CE1' ' A' ' 87' ' ' TYR . 0.4 OUTLIER -135.31 121.03 19.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.538 0.787 . . . . 0.0 109.326 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.677 ' CE2' ' CE2' ' A' ' 87' ' ' TYR . 1.3 m-85 -157.43 175.97 13.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 111.011 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.811 ' OE1' HG23 ' A' ' 92' ' ' THR . 2.8 mm-40 45.73 -171.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.321 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.811 HG23 ' OE1' ' A' ' 91' ' ' GLN . 45.4 p -55.07 -108.09 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 110.368 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.483 ' N ' ' OG1' ' A' ' 92' ' ' THR . 0.0 OUTLIER 173.31 -39.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 110.384 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.18 -72.35 0.58 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.448 1.093 . . . . 0.0 110.282 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -123.19 170.73 7.76 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.965 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 57.34 4.53 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.532 1.806 . . . . 0.0 111.005 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 1.3 m -137.9 -53.23 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.42 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 14.0 t80 -99.23 79.99 2.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 111.039 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 11.6 tttt -49.06 172.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 109.282 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.412 ' O ' ' N ' ' A' ' 102' ' ' THR . 0.5 OUTLIER -40.55 -61.5 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.251 -179.94 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 68.71 -72.05 0.11 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.525 1.141 . . . . 0.0 109.297 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.412 ' N ' ' O ' ' A' ' 100' ' ' ASN . 2.5 t -104.19 155.12 18.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 110.45 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 68.4 m -114.58 -173.8 2.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -145.15 -178.42 6.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.5 1.125 . . . . 0.0 109.267 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 12.7 p90 -157.48 170.81 21.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.997 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . 170.28 118.71 0.47 Allowed Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.448 1.093 . . . . 0.0 110.967 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.44 ' CE2' ' HA3' ' A' ' 84' ' ' GLY . 0.5 OUTLIER -167.35 -172.93 2.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 0.763 . . . . 0.0 110.976 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.403 ' HB2' ' N ' ' A' ' 130' ' ' SER . 0.1 OUTLIER 175.5 -154.64 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.148 . . . . 0.0 109.995 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -129.77 -167.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 110.957 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -176.64 -118.51 0.54 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.485 1.116 . . . . 0.0 111.014 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.08 143.98 12.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.529 0.782 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -106.08 108.4 2.94 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.511 1.132 . . . . 0.0 110.975 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -84.23 79.99 9.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 0.784 . . . . 0.0 109.363 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -111.1 87.01 2.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 30.2 t80 -144.64 175.71 9.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 6.8 p30 -104.79 114.63 63.69 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.334 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -67.17 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.532 1.806 . . . . 0.0 110.982 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.2 ptt? -120.28 -37.61 3.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 110.949 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -113.81 -80.74 0.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 9.8 t30 177.84 76.35 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.268 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.44 146.71 22.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -110.91 171.47 7.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.115 . . . . 0.0 109.268 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.506 HD11 ' HB1' ' A' ' 142' ' ' ALA . 0.2 OUTLIER -173.73 123.01 0.35 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.321 179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -83.82 127.39 33.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.133 . . . . 0.0 109.271 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -86.78 48.35 1.63 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.523 1.14 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 28.7 t 39.62 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 109.951 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -157.97 93.15 1.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 111.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.567 ' HB2' HG21 ' A' ' 82' ' ' VAL . 4.9 pt-20 179.29 62.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.638 ' HB3' HG12 ' A' ' 137' ' ' VAL . 0.0 OUTLIER 168.47 151.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 110.273 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 129' ' ' GLN . 2.9 t 159.73 61.65 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 1.131 . . . . 0.0 109.943 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.489 ' HG3' HG22 ' A' ' 132' ' ' ILE . 3.2 tpm_? -94.93 -70.65 0.7 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.322 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.489 HG22 ' HG3' ' A' ' 131' ' ' ARG . 0.8 OUTLIER 179.29 38.38 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.269 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.96 -42.04 2.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.275 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.532 ' C ' HG23 ' A' ' 135' ' ' VAL . 36.1 m -133.26 8.39 3.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.0 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.532 HG23 ' C ' ' A' ' 134' ' ' SER . 3.6 t 77.45 -56.79 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.32 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -160.41 96.86 1.19 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.665 HG22 ' H ' ' A' ' 138' ' ' GLY . 8.7 p -117.2 176.22 2.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.665 ' H ' HG22 ' A' ' 137' ' ' VAL . . . -179.56 -157.32 19.66 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.501 1.126 . . . . 0.0 110.996 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.1 m -98.13 108.49 21.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 0.747 . . . . 0.0 110.403 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.688 ' O ' HD13 ' A' ' 141' ' ' ILE . 0.0 OUTLIER -101.84 74.7 1.5 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 108.005 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.688 HD13 ' O ' ' A' ' 140' ' ' TRP . 23.4 mm -141.89 166.92 16.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.506 ' HB1' HD11 ' A' ' 123' ' ' LEU . . . -114.65 83.76 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.476 1.11 . . . . 0.0 109.351 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.36 138.2 21.46 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 49.3 t -92.48 103.39 14.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 0.752 . . . . 0.0 109.291 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -85.11 118.12 4.69 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 111.01 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -154.82 117.47 4.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -107.73 155.7 19.91 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 110.266 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 2.0 t80 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 111.003 179.994 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.47 ' H2 ' HG12 ' A' ' 5' ' ' VAL . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.429 HG22 ' N ' ' A' ' 3' ' ' SER . 4.5 m 57.71 -90.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.428 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.429 ' N ' HG22 ' A' ' 2' ' ' THR . 39.6 t -159.22 98.24 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.122 . . . . 0.0 109.974 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.452 HG22 ' O ' ' A' ' 4' ' ' THR . 1.5 m 47.07 84.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.385 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 5' ' ' VAL . 8.7 p -125.43 39.39 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.5 1.125 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.421 ' N ' ' HA3' ' A' ' 145' ' ' GLY . 2.2 p -138.85 161.96 35.98 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.101 . . . . 0.0 110.453 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.04 126.3 2.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.529 1.143 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.42 -153.9 6.72 Favored Glycine 0 CA--C 1.53 1.03 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.489 ' H ' HG21 ' A' ' 141' ' ' ILE . 0.8 OUTLIER -117.85 124.29 47.98 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.533 0.784 . . . . 0.0 110.985 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -81.57 102.44 10.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.298 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.5 tt0 -125.22 106.79 10.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.342 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -134.81 177.38 7.83 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.46 1.1 . . . . 0.0 110.023 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 54.3 p-10 178.69 154.79 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.449 1.093 . . . . 0.0 109.335 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -110.44 174.12 6.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.562 1.164 . . . . 0.0 109.268 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.5 tm0? -105.99 121.81 44.87 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 114.75 -40.66 2.4 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.533 1.145 . . . . 0.0 110.995 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.76 -52.82 2.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 0.758 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 66.0 83.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.984 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -160.4 134.1 6.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.319 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.76 -59.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 71.74 -69.07 0.2 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.461 1.101 . . . . 0.0 110.989 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 101.75 -149.26 18.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.537 1.148 . . . . 0.0 110.966 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -179.61 -91.16 0.08 OUTLIER Glycine 0 CA--C 1.531 1.035 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 33.6 p90 -168.22 153.5 6.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 0.779 . . . . 0.0 111.018 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.0 p-10 -136.7 162.47 33.09 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.319 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.1 pp -160.15 148.68 17.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.303 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.74 128.34 53.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.258 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.59 ' CD2' ' O ' ' A' ' 28' ' ' TYR . 43.4 p90 -109.83 104.85 13.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.997 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 175.06 -166.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.269 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 51.7 p90 -179.09 161.64 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -171.96 111.35 0.29 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.441 1.088 . . . . 0.0 110.322 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 179.07 86.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 0.0 110.286 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.2 t70 174.4 -64.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.256 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -176.01 84.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 109.319 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -174.04 93.39 0.33 Allowed Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 110.03 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 57.88 4.69 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.495 1.787 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 tp -173.41 135.62 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 109.342 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -147.41 178.54 24.96 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.497 1.123 . . . . 0.0 110.989 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 72.0 t -127.71 145.86 34.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.506 0.768 . . . . 0.0 109.344 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -140.4 76.93 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -112.77 119.31 4.87 Favored Glycine 0 CA--C 1.529 0.941 0 O-C-N 124.495 1.122 . . . . 0.0 111.018 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.0 p -123.47 173.41 8.03 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 0.745 . . . . 0.0 109.989 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -129.31 129.1 44.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 110.975 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 m -117.68 128.64 55.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 0.0 110.409 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -100.9 136.42 40.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 72.4 m -91.36 99.21 12.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 110.372 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -81.11 -171.02 3.01 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 110.257 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.6 mttt 52.67 -170.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 1.9 m 69.22 87.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 109.978 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 177.94 80.48 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.28 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.471 ' OG1' ' CZ ' ' A' ' 57' ' ' TYR . 52.2 m 62.06 138.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.389 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -102.1 -60.3 1.56 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -148.55 -52.22 0.17 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 0.0 109.986 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 176.19 64.0 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.989 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 149.11 45.11 0.03 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.522 1.139 . . . . 0.0 110.976 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -177.03 99.28 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 0.756 . . . . 0.0 109.301 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.471 ' CZ ' ' OG1' ' A' ' 51' ' ' THR . 2.2 m-85 -115.95 101.4 8.73 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.3 119.8 35.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.3 tttt -103.77 77.94 1.51 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.359 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -110.62 99.07 8.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.329 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -152.09 114.72 4.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 110.321 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.492 ' CE2' ' O ' ' A' ' 87' ' ' TYR . 0.3 OUTLIER -163.11 -156.91 0.41 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.541 1.15 . . . . 0.0 111.01 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 48.8 p90 -177.83 135.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 110.992 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.2 129.41 9.57 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.475 1.109 . . . . 0.0 111.047 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 44.2 mt -90.28 87.17 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.787 . . . . 0.0 109.31 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.664 ' O ' ' HB2' ' A' ' 67' ' ' ALA . 10.1 t -95.68 149.64 21.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 110.354 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 66' ' ' THR . . . 165.32 88.17 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -121.71 162.56 15.42 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.519 1.137 . . . . 0.0 111.016 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 162.96 36.33 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 111.004 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -115.7 86.23 2.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 0.0 109.322 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 p90 -177.41 165.72 2.22 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 111.037 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 165.91 -68.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 110.342 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.522 ' O ' HG23 ' A' ' 73' ' ' ILE . 3.0 tp -161.92 110.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -46.44 96.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 73' ' ' ILE . 1.6 t0 -113.89 -54.54 2.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.569 1.168 . . . . 0.0 109.314 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.4 m95 -169.89 88.68 0.16 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 108.007 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 61.35 170.65 0.11 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.322 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 20.0 t -40.63 156.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 8.4 tt -115.78 159.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.44 ' C ' ' CD1' ' A' ' 80' ' ' TYR . 7.6 p90 -83.57 167.87 16.93 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.481 1.113 . . . . 0.0 111.004 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 156.25 69.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.497 1.123 . . . . 0.0 111.008 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 72.5 t -81.11 134.14 27.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 0.78 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 31.9 t -126.17 92.55 2.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -161.88 -173.51 30.63 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.456 1.097 . . . . 0.0 110.993 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -152.65 137.94 10.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.502 0.766 . . . . 0.0 109.281 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -140.45 113.14 0.85 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.462 1.101 . . . . 0.0 110.992 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.604 ' CD1' ' O ' ' A' ' 104' ' ' ASP . 0.4 OUTLIER -173.51 167.13 4.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 0.751 . . . . 0.0 110.978 179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 122.73 93.62 1.16 Allowed Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.487 1.117 . . . . 0.0 111.032 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -171.44 127.2 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 0.747 . . . . 0.0 109.256 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER 178.02 110.38 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.996 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -156.96 116.33 3.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.468 1.105 . . . . 0.0 110.312 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.449 ' O ' ' N ' ' A' ' 94' ' ' GLU . 7.3 m 74.04 -66.57 0.3 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.395 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.442 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 19.2 m 68.28 -65.11 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.424 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.581 ' O ' ' CG ' ' A' ' 95' ' ' TYR . 1.3 mt-10 164.82 63.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.33 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.581 ' CG ' ' O ' ' A' ' 94' ' ' GLU . 0.6 OUTLIER 175.03 159.43 0.37 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 111.0 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 54.53 3.65 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.451 1.764 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.455 ' O ' ' N ' ' A' ' 99' ' ' LYS . 4.1 t -122.9 -41.89 2.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.445 ' O ' ' N ' ' A' ' 100' ' ' ASN . 16.9 m-85 55.08 -86.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.502 1.126 . . . . 0.0 111.008 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.455 ' N ' ' O ' ' A' ' 97' ' ' THR . 18.0 mttm -65.25 76.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 98' ' ' TYR . 1.8 t-20 -105.78 57.71 0.67 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.5 p30 -57.89 108.47 0.59 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.278 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.627 HG23 ' O ' ' A' ' 102' ' ' THR . 12.9 t -172.67 60.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.449 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 7.4 m -100.48 166.94 10.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.98 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.604 ' O ' ' CD1' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -138.35 166.18 24.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 15.2 m-85 -84.68 169.06 14.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.457 1.098 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -139.59 175.93 21.43 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.569 1.168 . . . . 0.0 110.96 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -120.42 137.23 54.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.531 0.783 . . . . 0.0 111.004 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 14.2 m -115.62 109.07 17.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.127 . . . . 0.0 109.998 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 11.1 p90 -171.48 156.24 4.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 110.955 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -168.91 -119.05 0.47 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -161.19 140.32 10.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 0.741 . . . . 0.0 109.317 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -134.31 138.31 9.96 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.487 1.117 . . . . 0.0 110.981 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -118.86 86.02 2.47 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.443 0.731 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -86.57 92.63 8.95 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -136.51 174.72 10.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.473 1.108 . . . . 0.0 110.967 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -103.74 111.15 65.0 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -43.32 0.41 Allowed 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -125.39 -62.71 1.19 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.549 1.156 . . . . 0.0 110.955 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.47 -73.71 0.64 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.503 1.127 . . . . 0.0 110.322 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.459 ' OD1' HG21 ' A' ' 5' ' ' VAL . 22.4 t-20 -165.38 82.87 0.35 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 76.7 t -127.69 136.72 59.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.01 146.2 27.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -158.96 155.84 28.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.322 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -133.34 130.38 38.76 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -103.91 83.38 2.11 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 111.008 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 52.16 96.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 110.018 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.521 ' CD2' ' O ' ' A' ' 127' ' ' TYR . 37.2 p90 -130.63 39.95 3.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 111.054 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -158.71 125.76 4.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.15 . . . . 0.0 110.315 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -133.36 136.02 45.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 110.36 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -115.26 141.96 47.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.472 1.108 . . . . 0.0 109.995 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.4 ' CG ' ' HB ' ' A' ' 135' ' ' VAL . 2.7 mtt180 49.27 -175.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.535 ' O ' HG22 ' A' ' 132' ' ' ILE . 5.6 mt -98.91 67.72 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.359 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.445 ' O ' ' C ' ' A' ' 134' ' ' SER . 54.2 mtp180 78.54 -50.98 0.47 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.294 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.445 ' C ' ' O ' ' A' ' 133' ' ' ARG . 0.5 OUTLIER -34.97 -50.66 0.49 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.031 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.4 ' HB ' ' CG ' ' A' ' 131' ' ' ARG . 40.9 t -123.58 92.83 2.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -88.52 116.72 26.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 109.281 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.462 ' O ' HG12 ' A' ' 137' ' ' VAL . 55.2 t -145.39 78.7 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -112.95 -138.47 7.17 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.52 1.138 . . . . 0.0 110.985 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 5.4 t -175.87 156.14 1.75 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 0.769 . . . . 0.0 110.368 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 8.6 p-90 -168.94 136.53 1.92 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 107.988 -1.116 . . . . 0.0 107.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.653 HG23 ' N ' ' A' ' 142' ' ' ALA . 0.9 OUTLIER -169.73 -169.26 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.315 179.946 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.653 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -112.24 82.02 1.57 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.29 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -60.53 148.82 44.09 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.536 1.147 . . . . 0.0 110.969 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 7.4 p -173.98 121.68 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.421 ' HA3' ' N ' ' A' ' 6' ' ' THR . . . -107.21 -123.64 5.07 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.54 1.15 . . . . 0.0 110.987 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.413 ' O ' ' O ' ' A' ' 4' ' ' THR . 4.7 m-85 -133.69 164.22 27.7 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 0.755 . . . . 0.0 110.973 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.492 ' CG ' ' O ' ' A' ' 147' ' ' ARG . 5.5 ptt-85 -121.78 117.04 25.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.505 1.128 . . . . 0.0 110.263 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.44 0 O-C-N 124.47 1.106 . . . . 0.0 110.988 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.404 ' O ' ' C ' ' A' ' 2' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.289 -0.634 . . . . 0.0 109.289 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 1' ' ' ALA . 0.0 OUTLIER 38.18 77.32 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 110.418 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -101.58 49.38 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -123.63 135.42 53.92 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 0.0 110.412 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 86.8 t -117.54 133.59 63.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.548 ' O ' HG23 ' A' ' 6' ' ' THR . 4.7 t -87.21 93.37 9.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.373 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.3 66.95 0.57 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.517 1.135 . . . . 0.0 111.011 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -155.96 156.08 26.78 Favored Glycine 0 CA--C 1.53 1.028 0 N-CA-C 110.976 -0.85 . . . . 0.0 110.976 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -118.91 -172.02 2.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.536 0.786 . . . . 0.0 110.974 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -153.0 118.93 5.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.13 . . . . 0.0 109.347 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -129.24 113.19 14.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.319 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.17 -153.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.467 1.104 . . . . 0.0 109.959 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -107.86 -154.56 0.53 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -151.93 39.69 0.62 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -97.38 18.17 15.82 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 142.18 44.87 0.05 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.482 ' O ' ' CB ' ' A' ' 18' ' ' MET . 1.0 OUTLIER -178.2 -56.26 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 0.783 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . 0.482 ' CB ' ' O ' ' A' ' 17' ' ' GLN . 0.0 OUTLIER 79.64 -52.44 0.4 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 111.032 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 21' ' ' MET . 1.9 p30 -92.36 -52.79 4.5 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.588 1.18 . . . . 0.0 109.344 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.15 -78.31 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' ASN . 0.0 OUTLIER -168.52 98.34 0.41 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 111.06 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -108.77 174.36 18.47 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.456 1.098 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 134.49 -139.44 10.87 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 9.1 m-85 -100.43 159.47 15.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 0.773 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 65.8 t30 -129.7 49.01 2.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.571 1.169 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.612 HD21 HD11 ' A' ' 40' ' ' ILE . 3.4 mt -174.59 -164.89 0.18 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.358 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.406 ' CB ' ' O ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER 170.7 -87.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.273 179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 5.8 p90 -177.61 144.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 111.026 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.807 ' NH1' HG12 ' A' ' 39' ' ' VAL . 4.1 mmt85 -149.07 -175.7 5.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.344 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.485 ' O ' ' CG ' ' A' ' 30' ' ' TYR . 8.5 p90 -104.21 128.83 51.98 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 110.979 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.58 142.8 16.97 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 1.161 . . . . 0.0 110.284 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -100.1 -154.07 0.46 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.292 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -89.03 -42.75 11.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 39.7 t30 -126.46 55.83 1.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.568 1.167 . . . . 0.0 109.28 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.1 m -82.27 119.62 75.3 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.969 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -27.29 10.07 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.018 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.5 tp -129.54 108.4 10.21 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -123.92 135.79 9.92 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.807 HG12 ' NH1' ' A' ' 29' ' ' ARG . 36.9 t -102.38 136.38 34.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.307 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.673 HG22 ' CA ' ' A' ' 68' ' ' GLY . 2.4 tp -125.13 129.31 73.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.455 1.097 . . . . 0.0 109.298 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -86.04 85.81 1.56 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.518 1.136 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -106.45 104.29 13.95 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.535 0.785 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 4.2 p90 -160.12 166.81 29.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.991 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 62.3 p -123.68 147.58 47.3 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.57 1.169 . . . . 0.0 110.384 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 63.2 m-85 -85.84 159.63 19.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.464 1.103 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.562 HG21 ' HA ' ' A' ' 60' ' ' ASN . 3.7 m -81.93 80.23 8.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.398 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -86.1 170.14 12.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.322 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.474 ' O ' ' CB ' ' A' ' 49' ' ' SER . 3.6 mmtp 64.23 -101.5 0.09 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 0.0 109.323 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 1.1 p 83.77 -170.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.956 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 15.1 mtt180 59.99 115.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.304 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 25.5 m -94.93 -45.02 7.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -120.07 -164.53 1.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.521 1.138 . . . . 0.0 109.28 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -100.4 -22.42 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.988 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -176.66 39.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 110.024 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -105.04 -43.11 1.68 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.486 1.116 . . . . 0.0 111.01 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -161.98 101.78 1.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 0.759 . . . . 0.0 109.272 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -61.86 142.22 57.49 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -129.7 109.36 10.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.325 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.4 166.48 23.07 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.562 ' HA ' HG21 ' A' ' 46' ' ' THR . 1.4 m120 -97.31 131.8 43.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -171.67 84.48 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 6.5 p90 -80.4 151.2 29.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 0.0 110.952 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 47.6 t80 -164.65 57.49 0.14 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 111.034 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.28 136.34 12.96 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.524 1.14 . . . . 0.0 110.955 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.463 HG22 HG12 ' A' ' 85' ' ' VAL . 5.5 tp -123.93 152.52 29.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.51 0.771 . . . . 0.0 109.341 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -149.79 141.58 23.68 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.48 1.113 . . . . 0.0 110.391 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -70.63 98.09 1.44 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.302 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.673 ' CA ' HG22 ' A' ' 40' ' ' ILE . . . -73.72 -51.18 9.67 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.476 1.11 . . . . 0.0 111.005 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.49 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.3 Cg_endo -74.99 147.02 33.38 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.517 1.798 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -125.25 165.26 18.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 109.31 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 4.6 t80 -178.63 172.57 1.39 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . 0.615 ' O ' HG22 ' A' ' 73' ' ' ILE . 2.9 ttt180 68.13 144.95 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 1.134 . . . . 0.0 110.278 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.615 HG22 ' O ' ' A' ' 72' ' ' ARG . 1.0 OUTLIER 48.2 -175.02 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.441 ' CB ' ' O ' ' A' ' 73' ' ' ILE . 1.4 t-20 77.58 151.41 0.12 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.13 -61.23 1.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 0.0 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.441 ' O ' ' HB2' ' A' ' 77' ' ' ALA . 1.5 m95 -141.96 67.42 1.33 Allowed 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.441 ' HB2' ' O ' ' A' ' 76' ' ' TRP . . . 178.86 -173.7 0.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 1.121 . . . . 0.0 109.341 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 53.8 m -128.42 128.01 43.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.143 . . . . 0.0 110.001 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 12.6 mt -129.24 115.92 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -178.05 127.57 0.13 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 111.007 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -66.86 157.87 50.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.51 1.132 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 11.6 m -92.9 105.04 16.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.536 0.786 . . . . 0.0 109.286 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.9 p -112.34 125.73 69.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.265 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -123.38 -162.5 11.5 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.53 ' O ' HG13 ' A' ' 85' ' ' VAL . 7.7 p -150.17 96.37 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.307 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -68.51 135.2 28.85 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.477 1.111 . . . . 0.0 110.962 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.46 ' CD1' ' C ' ' A' ' 87' ' ' TYR . 3.3 t80 -91.79 148.58 22.14 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 0.756 . . . . 0.0 110.998 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . 0.425 ' O ' ' CE1' ' A' ' 87' ' ' TYR . . . -42.02 103.55 0.04 OUTLIER Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.488 1.118 . . . . 0.0 110.978 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -98.61 53.97 1.03 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.779 . . . . 0.0 109.273 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.5 t80 -151.52 94.23 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.11 178.43 5.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -161.96 136.47 6.91 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 110.424 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -161.76 125.13 3.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 0.0 110.384 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -176.38 -64.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.294 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.626 ' CD1' HG23 ' A' ' 97' ' ' THR . 1.7 p90 -79.78 159.38 71.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.422 ' O ' ' HB ' ' A' ' 97' ' ' THR . 18.3 Cg_endo -74.97 63.59 5.97 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.494 1.786 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.626 HG23 ' CD1' ' A' ' 95' ' ' TYR . 2.1 t -178.71 36.5 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.155 . . . . 0.0 110.432 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -37.17 148.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.466 1.104 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.456 ' O ' ' CB ' ' A' ' 100' ' ' ASN . 3.8 tptp -96.89 -65.85 0.94 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 109.318 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.456 ' CB ' ' O ' ' A' ' 99' ' ' LYS . 16.1 t30 78.18 -57.42 0.47 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.17 147.82 12.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 109.247 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.4 m -153.65 140.86 19.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.419 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 3.3 t -122.11 78.41 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -155.28 116.12 3.9 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 109.273 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 8.8 p90 -112.75 149.4 33.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.011 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -98.46 157.36 20.37 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.515 1.135 . . . . 0.0 110.961 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -124.88 110.2 13.97 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 110.973 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.7 m -117.61 136.68 53.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.517 1.136 . . . . 0.0 110.031 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -161.59 137.79 8.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 111.008 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -149.72 -121.43 1.08 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.404 1.065 . . . . 0.0 110.979 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -168.56 179.4 4.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.493 0.761 . . . . 0.0 109.263 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -130.87 127.44 5.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.013 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 2.5 tp -143.62 82.69 1.74 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 0.743 . . . . 0.0 109.277 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 15.9 tt0 -86.19 130.15 34.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.494 1.121 . . . . 0.0 110.304 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 32.2 t80 -92.89 155.4 17.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 56.0 t-20 -120.15 82.33 29.96 Favored Pre-proline 0 C--N 1.324 -0.527 0 O-C-N 124.505 1.128 . . . . 0.0 109.275 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -42.61 0.49 Allowed 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.518 1.799 . . . . 0.0 111.012 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 7.5 ttt 69.51 40.77 1.37 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.58 -75.47 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 110.254 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 20.8 p30 -177.38 45.19 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -176.84 143.26 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 0.0 109.352 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -115.31 121.37 42.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 109.316 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.1 mt -88.23 164.35 15.67 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -179.51 106.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 48.1 p90 -147.53 176.79 9.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 0.0 110.992 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 86.7 p -177.75 166.1 2.1 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.98 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.4 t80 -114.55 113.56 24.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.984 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -97.11 153.32 18.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.28 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -128.13 139.77 52.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.162 . . . . 0.0 110.319 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.617 ' HB2' HG21 ' A' ' 137' ' ' VAL . 0.2 OUTLIER -133.63 160.31 37.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.504 1.127 . . . . 0.0 110.009 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -148.03 74.84 1.31 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.155 . . . . 0.0 110.293 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.439 ' O ' HG23 ' A' ' 135' ' ' VAL . 6.9 mm -104.64 71.68 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.546 1.154 . . . . 0.0 109.331 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 64.93 57.76 0.97 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 110.283 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 67.61 74.33 0.31 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 0.0 109.982 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 132' ' ' ILE . 88.3 t -140.57 137.56 36.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.137 . . . . 0.0 109.328 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -110.09 148.52 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.617 HG21 ' HB2' ' A' ' 130' ' ' SER . 0.5 OUTLIER -133.5 68.77 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.34 179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -69.96 85.4 0.3 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.469 1.106 . . . . 0.0 110.997 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 98.0 m -93.07 137.77 32.12 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 110.361 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -163.58 96.72 0.85 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 108.029 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.52 HG23 ' N ' ' A' ' 142' ' ' ALA . 1.2 tp -146.71 -179.07 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.52 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -145.4 122.32 11.32 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.15 . . . . 0.0 109.29 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -109.57 166.18 12.54 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.454 1.096 . . . . 0.0 111.008 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -88.37 121.47 38.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -104.16 54.1 0.67 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -94.15 111.14 22.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.529 0.782 . . . . 0.0 111.018 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.4 131.21 43.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.345 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.9 t -74.11 173.88 9.47 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 110.396 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 t -134.63 83.09 2.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 0.0 110.03 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.4 t -101.08 149.28 24.12 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.159 . . . . 0.0 110.401 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.406 ' C ' HG23 ' A' ' 6' ' ' THR . 9.5 p -145.74 146.19 19.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.552 1.157 . . . . 0.0 109.323 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.406 HG23 ' C ' ' A' ' 5' ' ' VAL . 75.9 p -150.24 168.29 24.45 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.375 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.77 129.85 4.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.455 1.097 . . . . 0.0 111.02 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -112.12 134.63 12.17 Favored Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.502 ' O ' ' CG ' ' A' ' 9' ' ' TYR . 9.1 p90 -176.3 126.76 0.2 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 0.766 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -154.13 174.39 14.79 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.303 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.0 106.98 16.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.137 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 63.2 p -78.47 153.25 31.57 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.014 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -131.85 86.86 2.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.542 ' HB2' HG22 ' A' ' 137' ' ' VAL . . . -110.46 114.97 28.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 109.282 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 39.09 40.29 0.47 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.474 1.109 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -146.29 -127.06 1.82 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.519 1.137 . . . . 0.0 111.011 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -166.67 60.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 0.743 . . . . 0.0 110.328 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 4.9 mtm 61.2 95.69 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 111.026 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -98.38 -156.02 0.52 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 20' ' ' LYS . 0.1 OUTLIER -122.49 84.05 2.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 109.293 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.45 166.88 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.89 ' O ' HG23 ' A' ' 46' ' ' THR . . . -116.42 110.35 2.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.507 1.13 . . . . 0.0 110.933 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -112.83 103.98 1.5 Allowed Glycine 0 CA--C 1.53 1.016 0 N-CA-C 110.994 -0.842 . . . . 0.0 110.994 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -114.34 152.87 30.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 0.756 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -179.25 107.92 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -109.71 159.89 16.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.5 pttp -130.55 163.92 26.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 m-85 -143.84 108.92 4.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.99 144.56 29.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.276 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.568 ' CD2' ' O ' ' A' ' 30' ' ' TYR . 18.6 p90 -129.82 77.46 1.79 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.983 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -124.19 144.63 49.81 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -170.36 46.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -160.64 36.67 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.138 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 53.26 81.2 0.09 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.528 1.143 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.3 p 173.2 93.8 0.05 OUTLIER Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.488 1.118 . . . . 0.0 110.042 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 81.18 2.27 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.458 1.767 . . . . 0.0 110.993 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -146.52 101.41 3.47 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 1.1 . . . . 0.0 109.279 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.14 -161.76 17.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.507 1.129 . . . . 0.0 111.012 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -126.13 152.6 33.6 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.5 0.764 . . . . 0.0 109.273 -179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 40' ' ' ILE . 1.8 tt -94.33 92.77 3.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -117.91 57.53 0.53 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.463 1.102 . . . . 0.0 111.025 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 97.4 p -108.79 148.56 30.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.527 0.78 . . . . 0.0 109.988 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 29.5 p90 -151.19 147.6 27.22 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 74.6 m -104.26 167.77 9.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.431 ' N ' ' CD1' ' A' ' 45' ' ' TYR . 4.8 p90 -167.48 53.53 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.541 1.15 . . . . 0.0 111.026 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.89 HG23 ' O ' ' A' ' 22' ' ' GLY . 0.7 OUTLIER -172.26 163.54 5.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 110.37 -179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -178.57 -165.43 0.09 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.475 1.109 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.38 174.61 11.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.344 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 11.0 t -133.63 135.01 43.91 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.544 1.152 . . . . 0.0 109.997 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 12.3 ptm180 -179.99 143.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.502 1.127 . . . . 0.0 110.29 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.486 HG22 ' HA ' ' A' ' 57' ' ' TYR . 43.4 p -110.34 -143.92 0.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.392 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -143.56 -61.68 0.4 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.362 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -174.33 59.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 110.013 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 50.0 m 64.41 64.67 0.69 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -160.34 -57.35 0.01 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.404 ' O ' ' HA ' ' A' ' 51' ' ' THR . 0.2 OUTLIER -109.67 109.02 19.63 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.761 . . . . 0.0 109.303 -179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.486 ' HA ' HG22 ' A' ' 51' ' ' THR . 15.8 m-85 -111.15 138.41 47.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.971 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' CG ' ' A' ' 59' ' ' LYS . 1.5 m120 64.29 -79.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.1 pttp 46.2 48.11 13.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 21.8 p-10 -143.94 123.7 13.4 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 178.01 95.57 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.337 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -90.4 88.15 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -117.78 107.41 14.12 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -154.83 -174.04 24.33 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.51 1.131 . . . . 0.0 110.992 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.2 pt -131.59 146.03 34.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.769 . . . . 0.0 109.35 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 29.3 p -119.54 161.13 21.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 110.418 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -148.8 113.73 5.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.291 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 164.03 82.3 0.05 OUTLIER Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.123 . . . . 0.0 111.006 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 173.64 14.14 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.518 1.799 . . . . 0.0 111.018 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -82.28 146.83 29.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.132 . . . . 0.0 109.276 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.2 t80 -130.03 177.94 6.91 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.118 . . . . 0.0 111.03 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.1 mtt180 -74.1 -176.31 2.52 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 110.327 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 4.5 tt -66.63 138.02 23.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.309 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -165.92 -50.79 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -92.0 -57.31 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.302 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.605 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.3 OUTLIER 177.54 54.85 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 107.98 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.605 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 77.36 -64.7 0.3 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.122 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 19.9 p -70.33 132.12 45.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.115 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 33.2 mm -109.28 116.36 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.557 1.16 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -89.08 157.38 18.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.998 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 144.56 47.71 0.04 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.51 1.131 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.697 HG13 ' O ' ' A' ' 82' ' ' VAL . 10.0 p -88.18 79.65 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 0.77 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.7 p -93.93 76.75 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -83.11 114.0 3.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.497 1.123 . . . . 0.0 110.964 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 70.2 t -101.97 89.55 1.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.467 0.745 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -168.8 155.21 25.52 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.404 ' CE1' ' HA3' ' A' ' 106' ' ' GLY . 0.0 OUTLIER -137.99 -158.68 0.88 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 0.756 . . . . 0.0 110.966 -179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -97.13 -163.7 32.18 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.504 1.128 . . . . 0.0 111.009 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 tttp -147.79 164.25 34.2 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 0.791 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.401 ' CD1' ' O ' ' A' ' 90' ' ' PHE . 16.3 p90 -112.86 128.8 56.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.062 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -111.1 37.81 2.72 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 110.293 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.548 HG22 ' HB3' ' A' ' 98' ' ' TYR . 20.3 m -64.4 88.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.343 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.608 HG23 ' O ' ' A' ' 93' ' ' THR . 10.0 t -123.92 96.86 5.11 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 110.405 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.5 tt0 -155.71 -44.8 0.08 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 110.23 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.531 ' CD2' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER -95.45 -179.68 0.99 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.532 1.145 . . . . 0.0 110.956 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.531 ' HD2' ' CD2' ' A' ' 95' ' ' TYR . 18.2 Cg_endo -75.0 -25.64 11.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.522 1.801 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -157.88 80.9 0.86 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.453 1.095 . . . . 0.0 110.413 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.548 ' HB3' HG22 ' A' ' 92' ' ' THR . 0.1 OUTLIER -131.32 142.11 50.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 111.026 -179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.92 138.93 10.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.03 -43.17 75.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.0 t70 51.7 73.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.313 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.47 HG23 ' O ' ' A' ' 102' ' ' THR . 15.4 t -156.56 41.05 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.409 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 32.0 t -153.07 136.12 15.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.011 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -159.34 -60.95 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.456 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 0.3 OUTLIER -167.03 150.43 6.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.479 1.112 . . . . 0.0 110.983 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.404 ' HA3' ' CE1' ' A' ' 87' ' ' TYR . . . -132.41 -128.48 2.92 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.494 1.121 . . . . 0.0 111.0 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -167.19 117.04 0.85 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 0.763 . . . . 0.0 111.0 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.4 m -103.51 159.25 15.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.494 1.121 . . . . 0.0 110.021 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -170.28 151.92 3.97 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 141.62 105.92 0.59 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.518 1.137 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -175.24 -150.79 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 0.749 . . . . 0.0 109.312 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . 48.43 44.06 28.0 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.511 1.132 . . . . 0.0 111.043 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 1.2 tp -151.72 112.81 4.28 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.556 0.797 . . . . 0.0 109.256 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.8 tt0 -126.63 139.41 53.2 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.48 1.113 . . . . 0.0 110.27 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -142.13 144.55 33.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 111.022 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -168.33 136.83 1.85 Allowed Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.527 1.142 . . . . 0.0 109.319 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.431 ' HD2' ' CG1' ' A' ' 121' ' ' VAL . 18.4 Cg_endo -74.98 -71.66 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.54 1.81 . . . . 0.0 111.033 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 174.14 39.62 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.448 1.092 . . . . 0.0 110.986 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -111.01 -87.68 0.53 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 110.315 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 8.0 t-20 -171.06 34.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.555 1.159 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.431 ' CG1' ' HD2' ' A' ' 117' ' ' PRO . 6.1 p -99.59 144.87 11.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -164.69 107.07 0.86 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.262 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -124.65 171.07 10.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.127 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -149.5 102.59 3.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 1.167 . . . . 0.0 109.279 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.447 ' CG ' HG23 ' A' ' 141' ' ' ILE . 0.3 OUTLIER 173.41 -168.03 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 111.03 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 177.46 -65.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 110.008 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 14.2 m-85 -126.74 142.22 51.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -140.81 73.68 1.43 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.3 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.51 176.32 7.26 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 172.17 112.76 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 0.0 109.998 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -146.73 179.37 7.62 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 110.342 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.477 HG23 ' HB2' ' A' ' 134' ' ' SER . 13.4 tt -91.6 46.66 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.265 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 2.6 mpt_? 52.97 25.7 4.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.296 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.477 ' HB2' HG23 ' A' ' 132' ' ' ILE . 0.2 OUTLIER -112.06 -27.73 8.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 110.027 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 70.9 t -136.13 146.54 29.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.317 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -123.57 112.42 17.43 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.542 HG22 ' HB2' ' A' ' 14' ' ' ALA . 44.2 t -91.74 156.49 3.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -133.67 64.72 0.59 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.521 1.138 . . . . 0.0 111.032 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 25.0 m -94.61 108.49 20.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 0.765 . . . . 0.0 110.417 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 7.4 m-90 -95.02 95.27 8.49 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 108.026 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.447 HG23 ' CG ' ' A' ' 125' ' ' PHE . 9.5 tp -90.77 150.37 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -160.66 118.21 2.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 109.308 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -90.16 102.16 2.87 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.518 1.136 . . . . 0.0 110.985 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 73.4 t -92.73 123.58 44.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.505 0.768 . . . . 0.0 109.306 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 168.17 -165.65 38.92 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.54 1.15 . . . . 0.0 111.009 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -167.87 165.63 13.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 0.758 . . . . 0.0 111.02 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -89.55 143.19 27.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 110.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 12.2 t80 . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 0.0 111.027 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 31' ' ' GLU . . . . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.495 ' O ' ' CB ' ' A' ' 3' ' ' SER . 39.5 m 44.72 72.56 0.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.375 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 2' ' ' THR . 0.9 OUTLIER 159.94 44.07 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 110.043 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 HG23 ' CD ' ' A' ' 29' ' ' ARG . 3.2 t -165.47 39.72 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.415 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.479 ' CG2' ' HA ' ' A' ' 148' ' ' PHE . 29.1 t -93.15 136.14 25.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.6 t -80.01 170.9 15.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.373 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.789 ' HA2' HD22 ' A' ' 26' ' ' LEU . . . -138.34 148.81 20.17 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -101.0 145.99 17.26 Favored Glycine 0 CA--C 1.53 1.024 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 174.2 92.36 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 0.763 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 141' ' ' ILE . . . -160.31 -173.89 4.24 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -126.04 143.98 50.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.298 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.8 t -115.88 154.66 29.33 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.974 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -142.61 136.69 29.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.32 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -111.91 143.63 42.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.9 tm0? -62.39 112.12 2.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 55.29 76.25 0.2 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -158.34 -50.06 0.06 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 0.747 . . . . 0.0 110.32 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 58.41 96.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 110.972 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -151.2 -170.02 3.54 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.457 1.098 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.1 tttt -115.15 169.46 9.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.327 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.32 159.69 0.95 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 111.024 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.458 ' O ' ' CE2' ' A' ' 45' ' ' TYR . . . -129.91 -150.92 7.09 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.547 ' HA2' ' CD2' ' A' ' 45' ' ' TYR . . . -160.17 117.8 0.79 Allowed Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.989 -0.845 . . . . 0.0 110.989 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -145.25 106.98 4.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 0.771 . . . . 0.0 110.963 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 29.0 t-20 -146.91 98.81 3.1 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.308 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.789 HD22 ' HA2' ' A' ' 7' ' ' GLY . 0.5 OUTLIER -176.94 166.97 2.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.529 ' CB ' ' O ' ' A' ' 41' ' ' GLY . 12.3 tptt -167.08 -97.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.339 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -139.05 123.43 18.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.984 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.4 ' CD ' HG23 ' A' ' 4' ' ' THR . 0.0 OUTLIER -89.15 125.35 35.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.459 1.099 . . . . 0.0 110.299 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -111.91 96.91 6.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 111.0 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.454 ' O ' ' HB2' ' A' ' 1' ' ' ALA . 8.3 tt0 -155.38 101.72 2.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.534 1.146 . . . . 0.0 110.264 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -172.8 73.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 110.307 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.9 t70 173.39 -73.9 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 173.35 80.8 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.98 115.89 0.23 Allowed Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.019 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 63.19 5.98 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.522 1.801 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.5 mp -120.16 111.6 18.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -63.1 -126.49 0.01 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.442 1.089 . . . . 0.0 111.04 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.664 HG22 ' HA2' ' A' ' 68' ' ' GLY . 7.4 m -80.4 -152.67 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 0.792 . . . . 0.0 109.328 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.522 ' CG1' ' O ' ' A' ' 40' ' ' ILE . 1.4 tt 177.36 39.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.529 ' O ' ' CB ' ' A' ' 27' ' ' LYS . . . 175.95 93.46 0.09 OUTLIER Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.479 1.112 . . . . 0.0 110.999 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 1.4 p -143.31 174.41 10.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.546 0.792 . . . . 0.0 109.988 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -141.73 168.19 20.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.457 1.098 . . . . 0.0 110.97 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 3.0 p -88.08 152.59 21.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.488 1.118 . . . . 0.0 110.374 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.616 ' O ' ' CD2' ' A' ' 45' ' ' TYR . 41.7 p90 -106.82 98.62 8.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.115 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.465 ' O ' HG22 ' A' ' 46' ' ' THR . 1.2 m -104.9 88.74 2.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.463 1.102 . . . . 0.0 110.39 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.466 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 mm-40 -80.59 175.83 10.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 0.0 110.272 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.466 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 3.6 tmtt? 86.05 170.01 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.42 137.63 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.042 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 169.38 -40.3 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -159.09 127.84 5.28 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.554 1.159 . . . . 0.0 110.392 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -129.08 -57.67 1.16 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -156.72 -57.98 0.09 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.998 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 61.2 m -102.87 58.86 0.78 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.563 1.165 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 38.86 69.6 0.38 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.481 1.113 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 65.6 m-20 -106.49 95.76 5.98 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 0.764 . . . . 0.0 109.282 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.431 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 26.7 p90 -118.72 128.55 54.61 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.974 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 30.5 t30 -40.47 155.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.404 ' O ' ' N ' ' A' ' 61' ' ' GLN . 1.9 tttt -70.8 67.42 0.38 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.46 1.1 . . . . 0.0 109.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER 68.96 -71.06 0.12 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.299 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 59' ' ' LYS . 1.1 tt0 -165.01 -178.56 5.23 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.135 . . . . 0.0 110.29 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -89.32 160.55 16.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 0.0 111.012 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -100.63 155.81 17.66 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.516 1.135 . . . . 0.0 111.01 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 133.71 139.75 4.23 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.5 1.125 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.732 ' H ' HD13 ' A' ' 65' ' ' ILE . 0.2 OUTLIER -125.06 141.26 45.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.448 0.734 . . . . 0.0 109.345 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 20.7 m -103.72 112.73 25.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -57.39 117.58 4.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.505 1.128 . . . . 0.0 109.284 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.664 ' HA2' HG22 ' A' ' 39' ' ' VAL . . . -47.59 -48.25 22.82 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.494 1.121 . . . . 0.0 111.005 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.542 ' CD ' ' N ' ' A' ' 68' ' ' GLY . 18.2 Cg_endo -74.99 136.01 19.86 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.03 -168.59 2.11 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.455 1.097 . . . . 0.0 109.306 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -170.02 175.22 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.564 1.165 . . . . 0.0 110.979 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 6.8 mtt180 51.23 79.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.451 1.094 . . . . 0.0 110.257 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.754 HG21 ' H ' ' A' ' 77' ' ' ALA . 7.2 tp -161.69 158.01 2.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -65.11 -46.87 79.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.285 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -118.76 -87.55 0.63 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.334 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -155.49 95.69 1.71 Allowed 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.754 ' H ' HG21 ' A' ' 73' ' ' ILE . . . -167.06 -161.64 0.44 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.517 1.135 . . . . 0.0 109.274 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.857 ' O ' HG23 ' A' ' 79' ' ' ILE . 53.9 p 57.03 -164.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.857 HG23 ' O ' ' A' ' 78' ' ' SER . 1.0 OUTLIER -168.4 40.23 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.092 . . . . 0.0 109.285 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.614 ' CD2' ' HB2' ' A' ' 111' ' ' ALA . 0.4 OUTLIER -81.08 121.82 26.56 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 111.004 179.98 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 112.53 51.65 0.53 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 111.015 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 34.0 m -87.34 138.16 19.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.481 0.754 . . . . 0.0 109.265 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 4.9 t -92.24 72.71 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -111.11 104.72 1.77 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.544 1.153 . . . . 0.0 111.004 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.5 p -168.9 112.29 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.472 0.748 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -159.91 -149.21 5.48 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.491 1.12 . . . . 0.0 110.975 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 24.9 p90 -151.67 148.51 28.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 0.767 . . . . 0.0 111.005 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 154.47 79.47 0.03 OUTLIER Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 5.1 mmtt -80.16 -171.37 2.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 0.779 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -109.38 57.83 0.61 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.491 1.119 . . . . 0.0 111.016 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.481 ' O ' ' CB ' ' A' ' 92' ' ' THR . 19.2 mm-40 -132.41 147.36 52.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.511 1.132 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.481 ' CB ' ' O ' ' A' ' 91' ' ' GLN . 0.9 OUTLIER 167.98 -44.33 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.481 1.113 . . . . 0.0 110.43 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . . . . . . . . . 49.0 m 67.37 -74.36 0.07 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 110.354 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -123.09 -42.83 2.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.444 1.09 . . . . 0.0 110.303 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 39.0 m-85 -138.4 162.87 50.99 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 111.034 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 55.7 4.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.462 1.77 . . . . 0.0 110.964 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 m -157.97 -44.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.568 1.167 . . . . 0.0 110.4 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.428 ' O ' ' N ' ' A' ' 100' ' ' ASN . 1.6 t80 -60.11 130.85 48.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.57 1.169 . . . . 0.0 110.981 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 5.3 mmmt 64.93 -78.91 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 109.276 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 98' ' ' TYR . 46.3 t30 44.15 54.3 6.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.118 . . . . 0.0 109.327 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.9 -45.86 7.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 1.9 m -164.37 162.8 22.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.452 1.095 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 24.9 p -165.84 58.33 0.11 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.978 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 169.24 89.47 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -179.47 49.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 111.033 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -137.61 139.15 10.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.45 1.094 . . . . 0.0 110.978 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 24.9 p90 -165.67 142.02 5.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 0.774 . . . . 0.0 111.05 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 40.4 p -116.01 144.91 43.46 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.14 . . . . 0.0 109.99 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -177.15 125.39 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.111 . . . . 0.0 110.979 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -178.26 -150.9 8.99 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.534 1.146 . . . . 0.0 110.973 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.614 ' HB2' ' CD2' ' A' ' 80' ' ' TYR . . . -132.97 146.31 51.67 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.494 0.761 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.545 ' HA3' HD11 ' A' ' 79' ' ' ILE . . . -131.41 -170.84 12.73 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.444 HD12 ' C ' ' A' ' 112' ' ' GLY . 3.3 mp -145.16 178.87 7.75 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 0.749 . . . . 0.0 109.235 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . 0.498 ' O ' ' CB ' ' A' ' 115' ' ' PHE . 0.2 OUTLIER -154.79 120.08 5.01 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 110.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.498 ' CB ' ' O ' ' A' ' 114' ' ' GLN . 2.6 t80 162.13 133.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.008 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.501 ' O ' ' HB3' ' A' ' 122' ' ' ALA . 1.6 m-20 164.55 81.53 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.131 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 122.17 7.05 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.519 1.799 . . . . 0.0 111.069 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -129.19 -82.8 0.57 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -97.58 -36.31 10.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -168.34 -55.66 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 0.0 109.286 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.722 ' O ' ' HB2' ' A' ' 122' ' ' ALA . 70.9 t -130.78 155.02 41.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.335 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.758 ' HB1' ' O ' ' A' ' 143' ' ' GLY . . . 161.23 86.18 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 109.302 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.611 ' O ' HD12 ' A' ' 123' ' ' LEU . 1.0 OUTLIER -156.9 84.19 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 0.0 109.283 179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.473 ' O ' ' CG2' ' A' ' 141' ' ' ILE . 1.7 m-20 -162.8 88.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.088 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -158.08 149.17 21.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.0 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.751 ' HB3' HD11 ' A' ' 79' ' ' ILE . 48.6 p -161.84 -165.27 1.22 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.021 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -141.65 115.85 9.4 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -129.53 170.85 13.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.318 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -126.8 163.79 22.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.317 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . 0.456 ' O ' ' CB ' ' A' ' 131' ' ' ARG . 33.5 p -137.9 76.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.117 . . . . 0.0 110.034 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.456 ' CB ' ' O ' ' A' ' 130' ' ' SER . 0.2 OUTLIER 161.76 -174.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.272 -179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.401 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.4 pt -104.11 88.5 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.328 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 132' ' ' ILE . 5.6 mtm180 38.63 33.21 0.07 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 110.253 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.77 -52.51 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 0.0 110.011 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.616 HG12 HG13 ' A' ' 137' ' ' VAL . 56.2 t -106.54 124.9 62.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -114.8 89.03 3.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 1.101 . . . . 0.0 109.342 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.616 HG13 HG12 ' A' ' 135' ' ' VAL . 2.9 m -89.64 109.96 21.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -106.27 102.66 1.95 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.502 1.126 . . . . 0.0 110.985 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 3.8 t -118.17 165.85 13.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 0.778 . . . . 0.0 110.367 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . 0.536 ' O ' ' CG ' ' A' ' 140' ' ' TRP . 0.1 OUTLIER -143.83 109.16 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 107.986 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.473 ' CG2' ' O ' ' A' ' 124' ' ' ASP . 0.1 OUTLIER -86.68 140.6 15.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.568 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -87.11 96.33 10.27 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 109.264 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . 0.758 ' O ' ' HB1' ' A' ' 122' ' ' ALA . . . -49.1 138.63 15.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.568 HG12 ' O ' ' A' ' 142' ' ' ALA . 3.1 p -178.49 84.18 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.333 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.497 ' O ' ' CG1' ' A' ' 121' ' ' VAL . . . -114.1 119.69 4.83 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.519 1.137 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 16.7 t80 -165.51 43.52 0.07 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 0.788 . . . . 0.0 110.966 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 7.7 ptt180 175.12 116.81 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.13 . . . . 0.0 110.311 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.479 ' HA ' ' CG2' ' A' ' 5' ' ' VAL . 44.3 p90 . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.983 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.267 -0.642 . . . . 0.0 109.267 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 8.9 t -140.03 151.48 45.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 110.384 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 97.7 p -158.32 112.04 2.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.455 HG22 ' HA ' ' A' ' 147' ' ' ARG . 43.0 p -82.36 170.45 15.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 110.384 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 96.8 t -103.17 83.92 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 109.319 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.2 t -91.6 128.02 37.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -136.16 106.59 0.57 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.491 1.119 . . . . 0.0 110.968 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -133.44 173.1 21.28 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -133.66 137.82 45.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 0.77 . . . . 0.0 110.977 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.629 ' HB2' ' CG1' ' A' ' 141' ' ' ILE . . . -122.58 150.11 43.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.263 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -103.08 112.06 24.72 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.302 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 1.2 t -84.72 112.56 20.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.46 ' O ' HG22 ' A' ' 137' ' ' VAL . 0.6 OUTLIER -107.47 152.0 24.8 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.309 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -133.18 -176.3 4.08 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.466 1.104 . . . . 0.0 109.296 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -42.55 -71.73 0.08 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.53 1.144 . . . . 0.0 110.341 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.24 69.89 0.42 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.512 1.133 . . . . 0.0 111.009 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 39.5 48.66 1.81 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.487 0.757 . . . . 0.0 110.26 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -101.69 51.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 176.08 146.17 0.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.283 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.31 145.94 26.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -69.19 119.39 13.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.495 1.122 . . . . 0.0 110.974 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -149.17 44.44 0.74 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.515 1.134 . . . . 0.0 110.989 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.449 ' O ' ' CD2' ' A' ' 24' ' ' PHE . . . -81.52 162.66 43.77 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.066 -0.814 . . . . 0.0 111.066 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.449 ' CD2' ' O ' ' A' ' 23' ' ' GLY . 69.0 m-85 -160.02 145.03 15.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.528 0.781 . . . . 0.0 110.965 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 35.6 t-20 -132.96 129.8 38.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.337 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.475 ' O ' ' C ' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -147.74 166.2 28.2 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.567 ' HD3' ' CE1' ' A' ' 43' ' ' PHE . 0.8 OUTLIER 34.29 88.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 109.325 -179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.551 ' O ' ' CG ' ' A' ' 28' ' ' TYR . 76.5 t80 -133.2 39.68 3.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 111.015 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' N ' HG21 ' A' ' 40' ' ' ILE . 0.1 OUTLIER -176.77 98.76 0.05 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 -179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -154.26 120.31 5.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.9 tp10 -171.58 166.79 6.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 110.323 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -81.53 -177.72 6.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.553 1.158 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -116.93 61.77 0.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 178.33 -54.92 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.43 1.081 . . . . 0.0 109.316 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -96.96 118.75 64.57 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.107 . . . . 0.0 109.996 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 146.15 32.19 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 176.36 152.08 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.5 1.125 . . . . 0.0 109.249 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.82 110.36 2.0 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 22.0 t -149.8 77.54 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.559 HG21 ' N ' ' A' ' 29' ' ' ARG . 4.3 tp -174.27 165.48 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 27' ' ' LYS . . . 65.39 39.38 95.77 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.489 1.118 . . . . 0.0 111.024 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.78 39.85 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.533 0.784 . . . . 0.0 109.988 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.567 ' CE1' ' HD3' ' A' ' 27' ' ' LYS . 29.9 m-85 -131.48 104.42 6.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.691 HG23 ' O ' ' A' ' 44' ' ' THR . 13.6 t -146.8 90.91 1.96 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.397 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 21.7 p90 -145.41 145.89 31.32 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.6 p -83.88 136.47 34.09 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.437 1.086 . . . . 0.0 110.383 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.436 ' O ' ' CB ' ' A' ' 48' ' ' LYS . 3.5 tm-20 -113.33 82.78 1.73 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.325 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.436 ' CB ' ' O ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER 169.05 109.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.468 ' HB2' ' CB ' ' A' ' 58' ' ' ASN . 5.0 p 169.95 113.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.056 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.517 ' HD2' ' CZ ' ' A' ' 57' ' ' TYR . 35.8 ttt180 178.35 102.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.324 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.415 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 1.7 p -38.87 -46.66 1.32 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.415 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.415 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . 67.18 54.11 0.75 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 109.352 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.7 t -157.05 34.06 0.29 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.481 1.113 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 62.57 20.65 12.13 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.122 . . . . 0.0 110.011 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -91.2 -60.71 1.3 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.467 1.104 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 167.33 178.13 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 0.792 . . . . 0.0 109.276 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.517 ' CZ ' ' HD2' ' A' ' 50' ' ' ARG . 4.8 m-85 -106.86 118.88 37.86 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.101 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.468 ' CB ' ' HB2' ' A' ' 49' ' ' SER . 55.7 m-20 -79.19 154.38 29.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.97 60.93 0.11 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -45.4 -62.88 1.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.302 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -82.7 -170.69 3.11 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 0.0 110.307 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 63' ' ' TYR . 1.0 OUTLIER 179.73 -165.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 111.037 179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.546 ' CE2' ' CE2' ' A' ' 62' ' ' TYR . 49.1 p90 -117.43 140.54 49.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 111.032 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -135.49 -118.92 1.86 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.49 1.119 . . . . 0.0 111.01 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 2.9 tp -153.42 123.86 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.524 0.779 . . . . 0.0 109.301 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 17.7 m -108.69 133.66 52.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.52 1.137 . . . . 0.0 110.389 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -97.38 111.02 23.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 109.278 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -73.73 113.69 4.31 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.478 1.111 . . . . 0.0 110.998 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 63.14 5.96 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.47 1.774 . . . . 0.0 111.013 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.49 97.47 10.06 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -145.94 94.05 2.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -66.56 152.38 45.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . . . . . . . . . 10.5 mt -110.74 -62.17 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -105.7 -57.12 2.08 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.529 1.143 . . . . 0.0 109.322 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -119.75 -56.97 2.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.14 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -175.15 69.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 108.009 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -106.97 71.46 0.84 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 98.8 p -76.66 90.98 3.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 110.021 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.449 ' O ' ' CG ' ' A' ' 80' ' ' TYR . 1.1 pt -137.56 107.34 4.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.159 . . . . 0.0 109.266 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.449 ' CG ' ' O ' ' A' ' 79' ' ' ILE . 48.4 m-85 -163.62 174.25 11.97 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 111.006 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.32 177.26 0.79 Allowed Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.524 1.14 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 69.2 t -142.9 147.73 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.5 0.765 . . . . 0.0 109.329 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 12.1 p -133.56 144.65 35.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -173.42 123.06 0.95 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.494 1.121 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 38.4 t -109.05 98.05 6.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.493 0.76 . . . . 0.0 109.277 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -75.14 164.81 54.53 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -88.52 167.25 13.58 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.51 0.77 . . . . 0.0 110.976 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -156.07 71.7 0.26 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -132.73 79.15 1.83 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 0.775 . . . . 0.0 109.332 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.439 ' CE1' ' ND2' ' A' ' 100' ' ' ASN . 26.4 p90 -105.14 178.62 4.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.014 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.453 ' O ' ' N ' ' A' ' 93' ' ' THR . 0.2 OUTLIER 73.55 -57.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 110.311 179.998 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.508 ' O ' HG23 ' A' ' 92' ' ' THR . 3.3 t -58.64 84.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.388 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.517 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 30.8 m -87.63 -41.12 13.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.161 . . . . 0.0 110.417 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.517 ' CB ' ' O ' ' A' ' 93' ' ' THR . 0.3 OUTLIER 159.63 43.02 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.327 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.537 ' O ' ' CE1' ' A' ' 98' ' ' TYR . 5.6 m-85 -105.93 170.79 5.45 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 111.027 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 54.42 3.63 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.48 1.779 . . . . 0.0 110.936 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 19.5 m -157.66 -51.22 0.07 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 110.384 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 95' ' ' TYR . 27.5 m-85 47.12 -176.02 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 98' ' ' TYR . 1.2 pttm 39.07 88.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.448 1.093 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.439 ' ND2' ' CE1' ' A' ' 90' ' ' PHE . 10.6 t30 -69.41 -54.0 16.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -177.1 89.58 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.471 1.107 . . . . 0.0 109.292 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 9.0 t -55.25 152.88 7.64 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.538 1.149 . . . . 0.0 110.409 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.7 -63.12 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.452 1.095 . . . . 0.0 110.019 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 47.5 m-20 52.27 92.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.503 1.127 . . . . 0.0 109.331 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -166.31 39.81 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 111.034 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -94.82 79.24 0.89 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.477 1.111 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -79.97 137.33 36.82 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 0.762 . . . . 0.0 110.998 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -115.46 107.45 15.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 0.0 110.055 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -125.55 115.81 20.76 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -141.96 -150.77 5.41 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.482 1.113 . . . . 0.0 111.018 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -146.84 133.11 19.47 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 0.759 . . . . 0.0 109.29 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -83.28 151.28 28.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.443 HD22 ' CE1' ' A' ' 115' ' ' PHE . 3.5 tt -147.48 101.93 3.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.301 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -101.12 123.37 45.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.304 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.443 ' CE1' HD22 ' A' ' 113' ' ' LEU . 46.2 m-85 -86.38 167.59 14.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.2 122.49 69.78 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 161.75 38.16 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 4.2 ttt -151.53 -65.07 0.18 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 0.0 111.007 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -109.73 -45.42 3.66 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.52 1.138 . . . . 0.0 110.361 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 179.3 71.54 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.537 1.148 . . . . 0.0 109.343 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.415 ' O ' HG13 ' A' ' 121' ' ' VAL . 7.3 p -143.27 108.08 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -132.73 70.07 1.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -94.98 128.83 42.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.454 1.097 . . . . 0.0 109.294 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.477 ' O ' ' CD2' ' A' ' 125' ' ' PHE . 0.8 OUTLIER -138.28 76.02 1.55 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.322 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.523 ' CE1' ' HB ' ' A' ' 141' ' ' ILE . 1.2 m-85 -164.27 174.3 11.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 111.021 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 22.7 t 179.52 -81.83 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.975 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -137.15 169.63 17.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.492 1.12 . . . . 0.0 111.006 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -174.0 120.34 0.28 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.472 1.108 . . . . 0.0 110.313 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 3.4 mt-30 -87.14 139.12 30.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -151.96 105.74 3.12 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 109.956 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -104.28 89.97 3.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.436 ' N ' HG12 ' A' ' 135' ' ' VAL . 30.3 mm -79.92 86.5 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.459 1.1 . . . . 0.0 109.324 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER 63.98 54.56 1.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.263 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 58.61 78.83 0.24 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 0.0 109.978 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.62 HG13 HG23 ' A' ' 137' ' ' VAL . 8.2 p -156.12 140.42 8.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.306 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -84.6 101.55 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.535 1.147 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.62 HG23 HG13 ' A' ' 135' ' ' VAL . 96.1 t -121.98 115.78 47.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.463 1.102 . . . . 0.0 109.305 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -91.13 145.32 17.72 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.541 1.151 . . . . 0.0 110.998 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 17.5 m -134.22 120.79 20.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 0.755 . . . . 0.0 110.435 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 3.5 t90 -155.09 112.07 3.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 107.994 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.629 ' CG1' ' HB2' ' A' ' 10' ' ' ALA . 2.7 mp -129.08 150.07 34.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 109.35 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -124.6 95.89 4.69 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.516 1.135 . . . . 0.0 109.272 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.44 146.3 18.05 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.451 1.094 . . . . 0.0 110.968 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.4 p -171.38 155.44 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.522 0.777 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . 150.82 -161.41 29.01 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -123.51 165.25 17.43 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.508 0.769 . . . . 0.0 111.016 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.455 ' HA ' HG22 ' A' ' 4' ' ' THR . 3.7 ptp180 -90.41 148.0 23.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.467 1.105 . . . . 0.0 110.324 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 84.2 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.948 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.668 ' HB3' ' HA ' ' A' ' 30' ' ' TYR . . . . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 60.9 p 43.59 -146.86 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.13 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -175.63 74.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.989 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.9 m -97.48 130.47 44.57 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.518 1.136 . . . . 0.0 110.388 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 73.0 t -106.23 103.23 15.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.5 m -112.63 114.01 26.43 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.552 1.157 . . . . 0.0 110.402 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -114.9 132.34 10.34 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.435 1.084 . . . . 0.0 110.974 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -157.89 150.49 21.41 Favored Glycine 0 CA--C 1.53 1.0 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 74.9 m-85 -91.53 136.91 32.78 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.501 0.765 . . . . 0.0 110.954 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -108.71 117.29 33.79 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.481 1.113 . . . . 0.0 109.294 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -171.16 125.81 0.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.249 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 175.62 -168.56 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.574 1.171 . . . . 0.0 109.968 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -85.6 152.69 22.94 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.596 ' HB1' HG12 ' A' ' 137' ' ' VAL . . . -172.74 146.03 1.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -40.7 102.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.145 . . . . 0.0 110.276 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 174.0 -33.89 0.11 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.509 1.131 . . . . 0.0 111.004 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.3 tm0? 77.76 74.97 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 0.774 . . . . 0.0 110.291 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 2.9 mtt 71.11 97.61 0.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -149.89 135.11 18.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.282 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.05 98.62 9.96 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 109.344 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.54 92.24 4.38 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -104.19 108.84 3.24 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.55 1.156 . . . . 0.0 111.041 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.88 168.78 23.83 Favored Glycine 0 CA--C 1.53 1.001 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -130.31 135.04 47.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 0.756 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 8.7 p30 -86.71 134.97 33.55 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 109.357 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 2.2 mt -136.21 56.37 1.82 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.242 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -66.42 138.94 57.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -120.62 118.49 30.28 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.989 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.2 mtt180 -85.92 161.64 18.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 110.263 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . 0.668 ' HA ' ' HB3' ' A' ' 1' ' ' ALA . 34.9 t80 -108.24 140.23 41.79 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -80.44 154.69 27.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.306 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -153.85 136.54 15.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.161 . . . . 0.0 110.293 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.1 p-10 -65.27 -38.74 91.21 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 176.46 39.42 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -136.66 127.64 16.54 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 0.0 109.996 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 107.77 2.56 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.481 1.78 . . . . 0.0 111.016 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -165.62 71.02 0.15 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.79 117.44 3.95 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.508 1.13 . . . . 0.0 111.015 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 10.6 p -138.12 153.77 27.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.566 0.804 . . . . 0.0 109.279 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.453 HG23 ' N ' ' A' ' 41' ' ' GLY . 0.6 OUTLIER -177.57 179.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.453 ' N ' HG23 ' A' ' 40' ' ' ILE . . . -111.71 -134.98 6.54 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.132 . . . . 0.0 110.97 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.16 141.43 15.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 0.757 . . . . 0.0 110.048 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -108.37 114.89 29.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 111.036 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 2.3 p -120.31 -179.94 4.11 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.522 1.139 . . . . 0.0 110.385 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -171.84 97.47 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 3.0 m -82.5 148.42 28.12 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.387 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER 171.36 -179.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 110.348 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.9 112.45 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.482 1.114 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.605 ' O ' HG22 ' A' ' 51' ' ' THR . 4.6 t -176.45 -62.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.975 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.422 ' CG ' ' C ' ' A' ' 49' ' ' SER . 0.0 OUTLIER 38.14 32.23 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.277 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.605 HG22 ' O ' ' A' ' 49' ' ' SER . 9.6 t -152.99 70.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.758 ' CB ' HG21 ' A' ' 93' ' ' THR . . . -80.95 -84.2 0.1 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 109.332 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 54' ' ' SER . 10.7 t -147.77 26.91 1.0 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.991 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 53' ' ' SER . 0.3 OUTLIER 84.44 64.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.974 179.95 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . -137.37 -65.12 0.05 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -169.78 -74.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 0.783 . . . . 0.0 109.313 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -148.11 -176.05 5.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 m120 -118.53 130.4 55.89 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.5 tttt -105.55 118.52 36.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.163 . . . . 0.0 109.301 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.3 t30 -177.83 95.89 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.304 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -143.0 121.34 12.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.544 ' CE1' ' HB2' ' A' ' 87' ' ' TYR . 10.6 m-85 -165.48 165.03 19.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 111.012 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 28.2 p90 -146.75 156.15 42.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.452 ' O ' HG23 ' A' ' 65' ' ' ILE . . . 98.71 107.39 2.7 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.459 1.1 . . . . 0.0 110.989 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.452 HG23 ' O ' ' A' ' 64' ' ' GLY . 4.5 pt -151.68 41.96 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.479 0.752 . . . . 0.0 109.328 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 22.4 m -158.98 151.34 21.43 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.401 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -178.27 86.95 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.538 1.149 . . . . 0.0 109.327 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 163.5 126.48 0.82 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.522 1.139 . . . . 0.0 111.024 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -168.05 0.48 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.526 1.803 . . . . 0.0 111.008 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.85 132.92 34.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 0.0 109.27 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -136.91 166.89 22.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 74.84 -57.28 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 110.308 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.523 HG22 ' O ' ' A' ' 73' ' ' ILE . 8.4 mt 67.5 56.91 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 15.5 t30 -74.05 -156.61 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.314 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.458 ' HB3' ' CE2' ' A' ' 76' ' ' TRP . 0.3 OUTLIER -90.96 -33.22 15.65 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.318 179.984 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.458 ' CE2' ' HB3' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -152.85 47.03 0.71 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.113 . . . . 0.0 108.004 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -168.98 122.75 0.82 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.23 -62.84 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.052 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 7.4 tt -95.34 41.37 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.472 1.108 . . . . 0.0 109.359 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.42 ' CD1' ' C ' ' A' ' 80' ' ' TYR . 8.8 p90 -80.48 149.44 30.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.51 1.131 . . . . 0.0 111.021 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 42.13 83.18 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.812 HG22 ' CD2' ' A' ' 109' ' ' TYR . 4.4 m -105.82 168.84 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.514 0.773 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.518 HG22 ' CE1' ' A' ' 107' ' ' PHE . 88.8 t -110.36 123.38 66.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.254 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -96.48 173.7 30.09 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.044 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . 0.659 HG12 ' O ' ' A' ' 85' ' ' VAL . 56.0 t -137.96 64.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.504 0.767 . . . . 0.0 109.287 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -102.11 161.22 17.44 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.516 1.135 . . . . 0.0 110.981 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.544 ' HB2' ' CE1' ' A' ' 62' ' ' TYR . 7.9 m-85 -113.95 132.87 55.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 111.05 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -105.76 136.61 13.32 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.539 1.149 . . . . 0.0 111.011 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -155.95 156.04 33.85 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 0.754 . . . . 0.0 109.352 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -137.28 134.09 35.74 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.489 ' O ' ' CB ' ' A' ' 92' ' ' THR . 0.0 OUTLIER -161.22 162.46 31.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.295 -179.969 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.507 ' O ' ' C ' ' A' ' 93' ' ' THR . 2.4 m 81.63 151.94 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.446 1.091 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.758 HG21 ' CB ' ' A' ' 52' ' ' ALA . 10.0 t 29.1 55.45 0.11 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 110.385 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -130.29 -44.16 1.14 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 3.9 m-85 -147.67 168.73 10.59 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -0.73 10.31 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.527 1.804 . . . . 0.0 111.031 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 t -146.12 34.19 1.0 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.402 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 58.86 163.53 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.72 -61.73 1.36 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.289 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 52.2 t30 62.63 59.06 1.52 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.251 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -45.08 166.17 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.277 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 34.0 p -88.72 -171.2 3.22 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.095 . . . . 0.0 110.391 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 5.2 t -151.05 121.19 7.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.444 1.09 . . . . 0.0 109.966 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -93.26 -66.95 0.89 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.468 1.105 . . . . 0.0 109.316 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . 0.557 ' O ' ' CD1' ' A' ' 105' ' ' TYR . 16.6 p90 -175.33 134.07 0.31 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -97.9 157.6 20.66 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.466 1.104 . . . . 0.0 111.028 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . 0.518 ' CE1' HG22 ' A' ' 83' ' ' VAL . 1.6 t80 -179.06 120.57 0.08 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 111.005 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 170.39 150.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.036 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.812 ' CD2' HG22 ' A' ' 82' ' ' VAL . 1.5 t80 -170.5 -147.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' ALA . . . -140.85 -94.24 0.24 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.448 1.092 . . . . 0.0 111.035 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' GLY . . . 177.61 162.63 0.55 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.445 0.732 . . . . 0.0 109.326 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -119.91 125.15 6.19 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.539 1.149 . . . . 0.0 111.039 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -89.91 124.0 34.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 0.776 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 2.3 tp-100 -86.64 114.13 23.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.271 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.5 ' CZ ' ' HA ' ' A' ' 122' ' ' ALA . 43.8 p90 -100.57 -172.69 2.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 0.0 111.042 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 41.9 t-20 -132.48 106.45 13.18 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 146.72 32.87 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.523 1.802 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 12.1 ttt -106.57 -50.29 3.16 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -117.94 -47.51 2.59 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.527 1.142 . . . . 0.0 110.33 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 169.74 83.62 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 15.3 m -145.13 166.55 10.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.5 ' HA ' ' CZ ' ' A' ' 115' ' ' PHE . . . -140.13 131.06 26.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 23.6 mt -133.06 88.66 2.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.142 . . . . 0.0 109.358 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -142.96 104.97 4.39 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . 0.444 ' CB ' ' O ' ' A' ' 141' ' ' ILE . 35.7 p90 -171.7 147.69 2.31 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 0.0 111.044 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.439 ' OG ' ' N ' ' A' ' 127' ' ' TYR . 59.3 p -173.05 -70.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 109.991 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.439 ' N ' ' OG ' ' A' ' 126' ' ' SER . 38.1 p90 -176.26 158.68 1.93 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . 0.53 ' OE1' HG21 ' A' ' 139' ' ' THR . 4.8 pt-20 -138.36 158.42 44.32 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.545 1.153 . . . . 0.0 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.464 ' HB3' ' CG1' ' A' ' 135' ' ' VAL . 15.8 mm-40 -129.74 149.61 51.41 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.554 1.159 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 94.5 p -171.84 96.95 0.17 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 1.2 tpt85 -177.86 -155.41 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.555 1.159 . . . . 0.0 110.293 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.455 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 2.8 tt -148.65 93.07 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.455 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 81.99 -44.21 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.324 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.445 ' O ' ' N ' ' A' ' 136' ' ' ASP . 14.8 m -82.46 8.46 11.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 110.015 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 129' ' ' GLN . 21.6 t -38.72 98.49 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 134' ' ' SER . 14.0 t70 -150.67 52.18 0.87 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.596 HG12 ' HB1' ' A' ' 14' ' ' ALA . 15.1 m -115.31 137.05 50.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.459 1.1 . . . . 0.0 109.293 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -124.02 177.5 16.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.465 1.103 . . . . 0.0 110.999 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.53 HG21 ' OE1' ' A' ' 128' ' ' GLU . 5.0 t -172.73 163.5 5.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.451 0.736 . . . . 0.0 110.449 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 12.8 t90 -147.06 72.16 1.25 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.444 ' O ' ' CB ' ' A' ' 125' ' ' PHE . 14.4 tt -85.2 155.76 3.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -137.01 73.59 1.45 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 0.0 109.337 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -43.53 115.77 1.22 Allowed Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.514 1.134 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 3.2 t -133.06 110.65 15.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.308 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -179.81 -132.88 1.88 Allowed Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.452 1.095 . . . . 0.0 111.004 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 32.9 p90 -177.72 167.36 2.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.77 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -97.35 147.74 23.87 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.13 . . . . 0.0 110.292 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.429 1.081 . . . . 0.0 110.989 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 42.8 m -74.59 139.89 43.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.102 . . . . 0.0 110.392 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.6 101.47 13.63 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.0 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.5 p -116.12 110.48 18.92 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 110.432 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.529 ' O ' HG12 ' A' ' 5' ' ' VAL . 57.8 t -93.71 72.0 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 0.0 109.26 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 78.9 p -97.3 67.87 2.17 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.411 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.51 165.01 23.4 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.482 1.114 . . . . 0.0 110.991 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -166.36 -95.42 0.1 Allowed Glycine 0 CA--C 1.53 0.982 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -147.78 126.49 12.59 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 0.784 . . . . 0.0 110.959 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -103.91 141.67 35.75 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.435 1.084 . . . . 0.0 109.324 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -99.4 157.71 16.23 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.493 1.12 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 10.3 t -118.51 114.38 22.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 109.972 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -131.22 111.41 11.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.452 ' HB1' ' HB2' ' A' ' 17' ' ' GLN . . . -119.61 -165.63 1.18 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.1 tp60 -117.71 -58.95 1.97 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.11 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -128.87 15.41 5.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.465 1.103 . . . . 0.0 110.989 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' HB2' ' HB1' ' A' ' 14' ' ' ALA . 12.9 mt-30 -90.0 -65.01 1.06 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.574 0.808 . . . . 0.0 110.304 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 63.06 70.24 0.55 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 110.971 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 15.2 p-10 -140.08 121.2 14.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 1.146 . . . . 0.0 109.32 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.1 mttp -50.8 135.5 23.8 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.7 ttp -150.16 152.03 34.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 111.006 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 131.28 148.95 6.33 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.483 1.114 . . . . 0.0 111.01 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -164.94 -91.34 0.08 OUTLIER Glycine 0 CA--C 1.531 1.033 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -159.3 114.85 2.51 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 0.785 . . . . 0.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 27.1 t30 -103.55 103.49 13.45 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 1.9 pp -117.3 114.54 23.74 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.487 1.117 . . . . 0.0 109.273 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.407 ' HG2' ' N ' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -65.66 143.18 57.73 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.407 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 11.2 t80 -97.94 116.31 29.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 110.974 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' CZ ' ' HA2' ' A' ' 38' ' ' GLY . 1.0 OUTLIER -98.48 127.87 44.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.537 1.148 . . . . 0.0 110.307 179.983 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 17.2 t80 -135.72 93.76 2.99 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -149.74 146.76 27.38 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 110.288 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -168.9 59.56 0.05 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 110.298 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER 58.56 84.9 0.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.245 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 62.6 t30 -176.46 -43.83 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.334 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.63 123.36 7.56 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.99 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.43 4.25 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.483 1.781 . . . . 0.0 110.972 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -105.35 -177.17 3.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.286 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.47 ' HA2' ' CZ ' ' A' ' 29' ' ' ARG . . . -163.37 37.21 0.32 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 68' ' ' GLY . 1.8 p 177.53 135.51 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.473 0.749 . . . . 0.0 109.314 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.73 HG23 ' O ' ' A' ' 40' ' ' ILE . 0.3 OUTLIER -175.31 42.04 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.285 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 139.03 140.64 3.99 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.492 1.12 . . . . 0.0 110.981 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.711 ' O ' HG22 ' A' ' 65' ' ' ILE . 0.4 OUTLIER -139.41 141.72 37.51 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 110.022 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -90.03 136.22 33.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.995 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 6.2 t -166.69 136.98 3.19 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -154.49 158.23 39.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 48.1 p -85.73 172.3 10.94 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 110.436 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 27.9 mt-10 -151.7 177.39 10.43 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.285 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' O ' ' CB ' ' A' ' 49' ' ' SER . 0.1 OUTLIER 65.1 -91.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 0.0 109.251 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.445 ' CB ' ' O ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER 81.42 160.11 0.15 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 -179.961 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 9.3 mtp180 70.1 134.72 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.339 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 9.5 p -77.66 -17.82 57.33 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.11 . . . . 0.0 110.381 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . 40.57 34.74 0.26 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -145.82 -51.73 0.25 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.98 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 65.6 p -92.72 -0.62 57.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.146 . . . . 0.0 110.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 59.63 75.73 0.26 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.495 1.122 . . . . 0.0 110.981 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -144.38 129.45 18.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 0.756 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.464 ' HB3' ' CG2' ' A' ' 93' ' ' THR . 0.3 OUTLIER -89.96 92.87 9.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.995 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.6 m-20 -92.87 145.0 24.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.07 57.75 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 109.316 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 96.3 m-20 -63.8 109.78 1.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 8.9 mt-30 -150.15 98.54 2.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.102 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -98.31 150.9 21.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.479 1.112 . . . . 0.0 111.019 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 5.4 m-85 -139.7 71.31 1.37 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.976 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -97.72 86.54 0.82 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.52 1.138 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . 0.711 HG22 ' O ' ' A' ' 42' ' ' SER . 0.1 OUTLIER -137.0 70.66 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.5 0.765 . . . . 0.0 109.279 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.4 HG23 HG12 ' A' ' 83' ' ' VAL . 8.8 t -161.58 40.13 0.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.359 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . 0.833 ' HB1' ' O ' ' A' ' 81' ' ' GLY . . . -51.48 -87.54 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.325 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' O ' HG22 ' A' ' 39' ' ' VAL . . . 119.88 -175.39 15.86 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 153.96 41.99 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.772 . . . . 0.0 110.991 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -112.75 -174.9 2.55 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.113 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -91.54 117.55 29.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 111.021 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 16.4 ptp180 -60.32 151.7 27.03 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.452 1.095 . . . . 0.0 110.294 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.428 ' O ' HD12 ' A' ' 73' ' ' ILE . 2.3 pp -46.61 123.5 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER 175.73 -44.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.482 1.114 . . . . 0.0 109.322 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.55 ' C ' ' CG ' ' A' ' 76' ' ' TRP . 30.5 m-20 -87.29 -67.37 0.83 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.326 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.55 ' CG ' ' C ' ' A' ' 75' ' ' ASP . 0.0 OUTLIER -170.73 69.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . 59.22 171.72 0.07 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.275 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -104.23 115.91 31.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.029 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -146.32 57.36 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.498 1.124 . . . . 0.0 109.293 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.557 ' CD2' ' O ' ' A' ' 80' ' ' TYR . 79.6 t80 -173.7 77.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.552 1.158 . . . . 0.0 110.987 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.833 ' O ' ' HB1' ' A' ' 67' ' ' ALA . . . -154.21 36.4 0.7 Allowed Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 86.5 t -120.2 117.54 53.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.497 0.763 . . . . 0.0 109.255 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.4 HG12 HG23 ' A' ' 66' ' ' THR . 94.3 t -142.77 150.02 18.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -166.79 129.69 1.98 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.473 1.108 . . . . 0.0 111.024 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.7 m -95.43 103.64 14.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.548 0.793 . . . . 0.0 109.278 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -60.77 166.56 12.21 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.471 1.107 . . . . 0.0 111.024 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -153.44 97.13 2.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.483 0.755 . . . . 0.0 111.003 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . 118.53 -162.76 13.21 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.475 1.109 . . . . 0.0 110.98 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -176.6 -178.13 0.88 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.467 0.745 . . . . 0.0 109.321 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.14 95.32 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.573 1.171 . . . . 0.0 110.979 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -121.99 -166.65 1.42 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.306 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.431 ' O ' HG23 ' A' ' 93' ' ' THR . 30.2 p -124.55 -150.15 0.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 110.434 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.464 ' CG2' ' HB3' ' A' ' 57' ' ' TYR . 2.1 p -152.3 121.62 6.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.442 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -86.53 -25.8 24.88 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.247 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.506 ' CG ' ' HD2' ' A' ' 96' ' ' PRO . 0.1 OUTLIER 172.98 173.49 0.21 Allowed Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.128 . . . . 0.0 110.99 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . 0.506 ' HD2' ' CG ' ' A' ' 95' ' ' TYR . 18.3 Cg_endo -75.04 55.94 4.12 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 98' ' ' TYR . 1.8 t -134.07 -51.74 0.83 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.547 1.155 . . . . 0.0 110.404 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.51 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.6 OUTLIER -167.68 57.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.972 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.51 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.0 OUTLIER 31.51 -144.12 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.276 179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.455 ' N ' ' CG ' ' A' ' 99' ' ' LYS . 56.8 t30 -111.01 49.06 0.89 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 0.0 109.32 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 56.65 171.03 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.526 1.141 . . . . 0.0 109.366 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 7.0 t -170.3 147.5 3.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.422 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 47.3 p -177.22 74.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -156.73 140.97 16.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 21.6 p90 -120.46 171.8 8.28 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.465 1.103 . . . . 0.0 110.992 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -151.76 149.86 21.66 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.543 1.152 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 37.0 p90 -119.8 138.43 53.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 0.775 . . . . 0.0 111.052 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -110.23 163.32 13.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.958 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 16.2 t80 -162.34 117.38 1.87 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.509 1.131 . . . . 0.0 111.019 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -136.17 -149.13 5.66 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.476 1.11 . . . . 0.0 111.04 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -164.4 175.38 10.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 0.78 . . . . 0.0 109.335 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -132.14 69.23 0.54 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.504 1.127 . . . . 0.0 110.98 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 3.4 tt -83.38 120.41 25.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 0.764 . . . . 0.0 109.331 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.9 pt20 -150.47 112.29 4.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -168.17 120.07 0.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 111.007 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 172.31 136.74 0.1 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 101.66 1.5 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.475 1.776 . . . . 0.0 111.042 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 2.9 mtt -128.1 160.98 30.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 111.013 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . 0.453 ' O ' ' ND2' ' A' ' 120' ' ' ASN . 8.3 pt-20 -44.27 -42.17 6.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.277 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . 0.453 ' ND2' ' O ' ' A' ' 119' ' ' GLU . 6.4 m-20 167.22 42.83 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.12 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 28.8 m -139.96 155.75 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 O-C-N 124.482 1.113 . . . . 0.0 109.237 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -143.18 171.0 14.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 1.8 pp -123.41 149.36 45.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 1.097 . . . . 0.0 109.257 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -119.96 114.76 22.53 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -87.47 131.63 34.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 111.019 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 90.3 p -119.08 92.14 3.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 109.967 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 42.1 t80 -104.73 86.78 2.54 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.951 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -81.19 157.04 25.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.5 1.125 . . . . 0.0 110.338 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -158.96 74.1 0.64 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 110.294 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 14.7 m -82.06 -171.7 3.54 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.516 1.135 . . . . 0.0 109.979 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -158.25 48.72 0.37 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.5 1.125 . . . . 0.0 110.337 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . . . . . . . . . 12.1 mt -80.51 92.0 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 109.274 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.23 41.54 0.28 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 110.307 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 47.05 75.79 0.12 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 0.0 110.026 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . . . . . . . . . 34.6 m -132.62 175.16 12.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -116.31 102.33 9.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.132 . . . . 0.0 109.316 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 3.4 t -94.84 103.09 14.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -109.36 155.28 16.16 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.453 1.095 . . . . 0.0 111.022 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 11.4 t -169.25 139.59 2.23 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 110.379 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -133.4 120.72 21.3 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 107.945 -1.131 . . . . 0.0 107.945 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.19 132.58 60.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 109.367 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -115.47 87.99 2.78 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -77.79 138.84 22.1 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.512 1.133 . . . . 0.0 111.021 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 65.8 t -147.47 121.46 2.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -166.02 -162.16 16.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 2.6 p90 -147.05 136.66 22.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 0.768 . . . . 0.0 110.955 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -81.06 141.58 34.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.314 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 1.7 t80 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.994 179.984 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.291 -0.633 . . . . 0.0 109.291 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 2.5 m 68.07 -72.01 0.1 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.121 . . . . 0.0 110.432 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.42 69.26 0.75 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.482 1.114 . . . . 0.0 110.009 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.658 HG22 ' H ' ' A' ' 5' ' ' VAL . 3.5 m -143.06 -169.71 3.09 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 0.0 110.369 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.658 ' H ' HG22 ' A' ' 4' ' ' THR . 21.8 m -94.97 140.49 16.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.648 HG22 ' HA ' ' A' ' 28' ' ' TYR . 13.4 t -151.56 111.38 4.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 174.16 -163.41 34.24 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -150.6 -160.83 9.58 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.512 ' H ' HD11 ' A' ' 141' ' ' ILE . 0.3 OUTLIER -101.13 -161.76 0.89 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.45 0.736 . . . . 0.0 111.019 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.496 ' O ' ' CB ' ' A' ' 21' ' ' MET . . . -125.51 87.54 2.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.497 1.123 . . . . 0.0 109.306 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 83.1 mt-30 -118.42 122.17 42.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.335 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 34.9 t -179.43 168.21 1.46 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -99.42 116.56 31.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 0.0 109.336 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -109.01 118.36 36.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.446 1.091 . . . . 0.0 109.328 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -71.25 137.61 48.75 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.28 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 50.17 56.47 12.43 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -156.08 -54.01 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.79 . . . . 0.0 110.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 10.5 ttm 59.11 68.18 0.84 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.129 . . . . 0.0 110.988 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -110.58 106.67 16.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' O ' ' C ' ' A' ' 21' ' ' MET . 0.3 OUTLIER -71.05 73.54 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.245 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.496 ' CB ' ' O ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER 29.56 76.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -106.42 33.53 6.39 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -132.65 157.39 22.56 Favored Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.51 ' CD1' ' C ' ' A' ' 24' ' ' PHE . 4.2 p90 -159.35 144.96 16.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 2.8 m-80 -117.31 124.99 50.32 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 109.327 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.0 tp -137.27 76.55 1.59 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.485 1.116 . . . . 0.0 109.318 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.2 mmtt -133.4 -168.23 2.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.337 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.648 ' HA ' HG22 ' A' ' 6' ' ' THR . 15.4 p90 -137.41 171.86 13.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 110.99 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.7 ptm180 -135.18 -166.16 1.79 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 110.3 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -138.36 115.61 11.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -162.47 58.55 0.22 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.329 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 168.61 51.26 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.108 . . . . 0.0 110.275 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -178.55 51.49 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 43.14 76.49 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.257 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -148.97 167.18 13.58 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.978 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -164.94 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.499 1.789 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.919 HD12 ' HB1' ' A' ' 70' ' ' ALA . 2.6 pt? -127.4 177.94 6.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.51 ' N ' ' HB3' ' A' ' 70' ' ' ALA . . . 58.04 33.42 69.21 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.536 1.148 . . . . 0.0 110.962 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.495 ' O ' HG13 ' A' ' 39' ' ' VAL . 9.1 p -114.08 113.03 42.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.539 0.788 . . . . 0.0 109.254 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 20.3 tt -171.41 144.72 0.59 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -121.66 65.82 0.47 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.441 1.088 . . . . 0.0 110.979 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -89.52 151.55 21.9 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 0.745 . . . . 0.0 109.985 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -124.89 132.36 53.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.455 1.097 . . . . 0.0 111.002 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 44' ' ' THR . 1.9 m -118.46 74.3 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 110.403 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 1.7 p90 -82.82 150.2 26.72 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.403 ' O ' ' O ' ' A' ' 61' ' ' GLN . 87.7 m -110.05 167.55 10.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.125 . . . . 0.0 110.361 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -177.88 119.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -173.12 156.38 3.21 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 t -98.08 153.14 18.63 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 109.983 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' A' ' 52' ' ' ALA . 0.3 OUTLIER -130.65 111.77 12.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.123 . . . . 0.0 110.291 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.516 ' O ' ' HB3' ' A' ' 52' ' ' ALA . 18.7 p 36.5 -95.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.092 . . . . 0.0 110.416 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.516 ' HB3' ' O ' ' A' ' 51' ' ' THR . . . 71.99 63.77 0.14 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 109.346 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.32 -56.28 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.959 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 48.0 t -63.46 -45.74 89.43 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.026 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 154.34 61.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.518 1.136 . . . . 0.0 111.03 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 177.94 131.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 0.797 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.534 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 18.4 p90 -150.32 121.93 8.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.3 m-20 -101.37 159.24 15.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.456 1.098 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.6 tttt -163.72 -178.46 5.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.3 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 60.31 91.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 109.265 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . 0.403 ' O ' ' O ' ' A' ' 46' ' ' THR . 0.0 OUTLIER -161.84 108.78 1.36 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.528 1.142 . . . . 0.0 110.307 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 17.5 p90 -179.36 39.78 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.142 . . . . 0.0 110.967 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.505 ' CG ' ' HB2' ' A' ' 87' ' ' TYR . 0.2 OUTLIER -125.06 158.23 34.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 162.38 85.71 0.06 OUTLIER Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.521 1.138 . . . . 0.0 111.024 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.7 mp -107.53 138.14 35.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.505 0.768 . . . . 0.0 109.291 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 2.7 m -156.2 129.59 8.2 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.428 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -85.68 142.55 28.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 109.271 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -40.99 125.8 3.04 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 56.46 4.26 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.506 1.793 . . . . 0.0 111.026 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.919 ' HB1' HD12 ' A' ' 37' ' ' LEU . . . -141.61 115.48 9.18 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -160.85 126.96 3.95 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.534 1.146 . . . . 0.0 111.026 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 38.3 ttt180 65.41 167.12 0.19 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 110.282 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.632 ' O ' HG23 ' A' ' 73' ' ' ILE . 0.1 OUTLIER -157.54 100.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -165.54 -59.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -47.1 -79.3 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.274 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.639 ' O ' ' HB3' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -150.81 62.11 0.93 Allowed 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 107.954 -1.128 . . . . 0.0 107.954 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.639 ' HB3' ' O ' ' A' ' 76' ' ' TRP . . . 80.06 -68.15 0.12 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -120.76 170.83 9.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 19.7 tt -132.4 164.1 35.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.293 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . . . . . . . . . 15.1 p90 -81.52 144.37 31.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 111.011 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . 143.23 80.96 0.05 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.002 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 20.1 m -108.3 162.39 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.524 0.779 . . . . 0.0 109.272 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.0 t -123.78 101.96 10.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.473 1.108 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -118.13 89.25 0.47 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.536 1.147 . . . . 0.0 111.01 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.4 m -95.62 79.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.47 0.747 . . . . 0.0 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -76.63 148.9 35.93 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.521 1.138 . . . . 0.0 111.046 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . 0.505 ' HB2' ' CG ' ' A' ' 63' ' ' TYR . 2.1 m-30 -116.65 105.62 12.63 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.75 . . . . 0.0 110.966 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -115.67 67.84 0.28 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.496 1.123 . . . . 0.0 111.046 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.7 tptt -88.06 57.73 4.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.745 . . . . 0.0 109.324 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.418 ' O ' ' CG ' ' A' ' 90' ' ' PHE . 7.8 p90 -94.88 133.01 39.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 111.002 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.438 ' HA ' ' CB ' ' A' ' 100' ' ' ASN . 0.8 OUTLIER -93.65 171.5 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.33 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.407 ' O ' ' N ' ' A' ' 94' ' ' GLU . 0.3 OUTLIER -168.83 145.5 3.64 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.458 1.099 . . . . 0.0 110.407 179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.533 ' O ' ' CB ' ' A' ' 94' ' ' GLU . 83.8 m 65.09 -77.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.52 1.138 . . . . 0.0 110.403 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.533 ' CB ' ' O ' ' A' ' 93' ' ' THR . 12.9 tt0 88.86 -22.47 0.12 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . 0.532 ' H ' HG22 ' A' ' 93' ' ' THR . 23.9 m-85 -81.4 166.49 37.89 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 111.001 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 55.44 3.93 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.487 1.783 . . . . 0.0 111.003 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.1 m -122.55 -61.51 1.45 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.125 . . . . 0.0 110.395 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.41 ' O ' ' C ' ' A' ' 99' ' ' LYS . 0.3 OUTLIER -146.12 16.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 111.011 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 98' ' ' TYR . 0.1 OUTLIER 39.51 -153.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.283 179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.481 ' O ' ' CB ' ' A' ' 101' ' ' ASP . 8.9 p-10 -79.25 -51.24 9.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.261 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.481 ' CB ' ' O ' ' A' ' 100' ' ' ASN . 7.7 m-20 157.24 46.15 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.556 1.16 . . . . 0.0 109.321 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.716 HG23 ' O ' ' A' ' 102' ' ' THR . 1.3 t 39.53 35.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.141 . . . . 0.0 110.422 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 66.36 144.24 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.998 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.22 173.79 10.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.513 1.133 . . . . 0.0 109.289 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -152.13 -169.26 3.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 111.007 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -138.22 116.06 1.26 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.536 1.148 . . . . 0.0 110.995 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -121.84 97.49 5.52 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 0.789 . . . . 0.0 110.986 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -114.14 126.93 55.63 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 110.001 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -148.78 91.65 1.9 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 111.006 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -106.15 -142.8 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.506 1.129 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -134.61 157.82 45.62 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 0.787 . . . . 0.0 109.322 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . . . . . . . . . . . -108.75 131.9 10.81 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.527 1.142 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -146.01 120.96 10.01 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 0.775 . . . . 0.0 109.263 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.64 118.37 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 110.275 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -176.21 98.85 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.471 1.107 . . . . 0.0 111.007 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 177.38 75.29 0.11 Allowed Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.58 1.175 . . . . 0.0 109.345 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 172.61 16.02 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 110.985 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -170.18 -62.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 110.971 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -67.88 0.97 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 110.343 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 17.6 p30 177.37 53.95 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.488 1.117 . . . . 0.0 109.264 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 145' ' ' GLY . 0.6 OUTLIER -139.99 173.27 10.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . 0.402 ' H ' HG22 ' A' ' 121' ' ' VAL . . . -119.6 145.25 46.59 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 5.8 tp -132.71 133.64 43.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.105 . . . . 0.0 109.338 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -150.26 156.17 41.06 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.361 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -120.91 94.34 4.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 97.5 p -49.74 117.06 2.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -137.51 103.66 5.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.965 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -132.15 -175.64 3.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.288 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -161.27 130.34 4.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.284 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 88.6 p -85.12 -170.46 3.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.145 . . . . 0.0 110.034 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -179.29 49.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.535 1.147 . . . . 0.0 110.256 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' A' ' 133' ' ' ARG . 12.8 mm -120.77 82.08 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.272 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.403 ' CB ' ' O ' ' A' ' 132' ' ' ILE . 0.0 OUTLIER 77.68 39.5 0.18 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 0.0 110.273 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 72.51 97.37 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 109.972 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 136' ' ' ASP . 30.3 t 68.08 166.75 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.482 ' N ' HG12 ' A' ' 135' ' ' VAL . 2.0 t0 -170.91 -48.17 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.552 1.157 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 7.7 p -176.54 137.74 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 109.319 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.542 ' O ' HG23 ' A' ' 139' ' ' THR . . . -103.28 -157.85 25.0 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.542 HG23 ' O ' ' A' ' 138' ' ' GLY . 2.3 p -155.32 112.43 3.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.466 0.745 . . . . 0.0 110.366 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -147.37 103.33 3.55 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 107.996 -1.112 . . . . 0.0 107.996 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.512 HD11 ' H ' ' A' ' 9' ' ' TYR . 8.4 tp -153.7 159.89 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.322 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -109.71 115.43 29.86 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.465 1.103 . . . . 0.0 109.326 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -98.94 120.76 6.97 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.117 . . . . 0.0 110.956 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.423 HG23 HG21 ' A' ' 121' ' ' VAL . 7.4 p -158.02 127.29 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.483 0.755 . . . . 0.0 109.26 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.464 ' O ' HG23 ' A' ' 121' ' ' VAL . . . -113.24 169.63 13.02 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.507 1.13 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -107.13 -175.74 2.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 0.742 . . . . 0.0 110.968 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.14 150.69 24.84 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.458 1.099 . . . . 0.0 110.329 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 26.0 t80 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . . . . . . . . . 12.7 t -52.12 -35.88 49.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 110.393 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -124.01 83.4 2.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.544 1.153 . . . . 0.0 110.015 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 5.5 t -116.51 142.65 46.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.452 1.095 . . . . 0.0 110.396 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 5.4 p -145.97 128.6 9.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.7 t -146.18 126.55 14.01 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.532 1.145 . . . . 0.0 110.396 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.78 88.46 0.2 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.544 1.153 . . . . 0.0 110.972 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -121.88 -160.53 11.01 Favored Glycine 0 CA--C 1.53 1.021 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . . . . . . . . . 30.0 p90 -145.5 135.97 24.16 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 0.759 . . . . 0.0 110.999 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -90.11 170.5 10.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 18.5 tt0 -162.64 98.03 0.98 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.279 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -118.6 152.52 35.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 110.006 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.432 ' HB3' HG21 ' A' ' 137' ' ' VAL . 1.3 m-20 -94.04 179.82 5.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.46 1.1 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -150.14 83.81 1.38 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 69.01 -72.6 0.1 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 1.153 . . . . 0.0 110.308 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -163.18 79.43 0.14 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.508 1.13 . . . . 0.0 111.017 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -145.64 -51.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 0.788 . . . . 0.0 110.277 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 23.5 ttt 59.18 88.93 0.06 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 111.03 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 177.33 95.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.297 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.8 -161.85 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.23 -56.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 108.48 -123.63 7.11 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.493 1.121 . . . . 0.0 110.97 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.519 ' O ' ' CG ' ' A' ' 24' ' ' PHE . . . -176.85 -105.06 0.18 Allowed Glycine 0 CA--C 1.53 1.02 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.519 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 93.8 m-85 -161.97 127.5 3.51 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.529 0.782 . . . . 0.0 110.974 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -98.85 83.42 2.93 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 4.2 tp -92.18 92.88 8.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.89 142.1 37.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 0.0 109.329 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 76.3 t80 -152.3 108.9 3.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.573 1.171 . . . . 0.0 110.965 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' HD2' HG22 ' A' ' 40' ' ' ILE . 0.0 OUTLIER -135.38 -157.4 0.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 110.276 -179.997 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -126.81 153.38 45.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 0.0 111.017 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -155.5 116.73 3.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 110.294 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' O ' ' CG ' ' A' ' 33' ' ' ASP . 5.5 tt0 -140.08 53.57 1.66 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.504 ' O ' ' CB ' ' A' ' 34' ' ' ASN . 2.2 m-20 170.16 41.45 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.465 1.103 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.504 ' CB ' ' O ' ' A' ' 33' ' ' ASP . 11.7 m-20 82.04 -50.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' A' ' 34' ' ' ASN . 0.4 OUTLIER 160.61 96.17 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.981 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -64.09 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.52 1.8 . . . . 0.0 111.013 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.401 HD12 ' O ' ' A' ' 37' ' ' LEU . 1.4 pp -177.61 91.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.486 1.116 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.462 ' HA3' ' CG ' ' A' ' 69' ' ' PRO . . . -63.68 118.66 13.97 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.51 1.131 . . . . 0.0 111.013 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 39' ' ' VAL . 75.8 t -99.03 59.85 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.502 0.766 . . . . 0.0 109.342 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.451 HG22 ' HD2' ' A' ' 29' ' ' ARG . 7.7 pt -80.07 157.73 4.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -149.32 67.62 0.36 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.459 1.099 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 74.0 p -89.09 176.23 7.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 0.776 . . . . 0.0 110.047 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' A' ' 43' ' ' PHE . 11.9 m-85 -125.05 107.96 11.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 111.007 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . . . . . . . . . 57.3 p -85.32 103.44 14.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 110.409 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -82.77 131.85 35.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.5 p -123.52 111.34 16.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 23.5 mm-40 -112.26 139.58 47.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.437 ' O ' ' N ' ' A' ' 50' ' ' ARG . 28.8 tttt -118.52 111.2 18.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 17.7 m 68.79 -65.38 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.983 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . 0.437 ' N ' ' O ' ' A' ' 48' ' ' LYS . 0.4 OUTLIER 63.81 108.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.322 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 73.9 p 39.5 86.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.442 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -100.08 -68.77 0.79 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.444 1.09 . . . . 0.0 109.274 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -161.98 84.09 0.59 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.464 1.103 . . . . 0.0 109.974 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 58.06 54.48 5.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.153 . . . . 0.0 109.999 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.417 ' O ' ' N ' ' A' ' 57' ' ' TYR . . . -151.61 -59.07 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.428 ' C ' ' CG ' ' A' ' 57' ' ' TYR . 6.2 m-20 69.51 -64.82 0.33 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.291 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.428 ' CG ' ' C ' ' A' ' 56' ' ' ASP . 6.6 m-85 68.3 -62.07 0.38 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 111.015 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' N ' ' O ' ' A' ' 56' ' ' ASP . 1.7 t-20 -102.66 129.38 49.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 109.288 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -137.96 -57.66 0.67 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -56.35 162.76 1.95 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.123 . . . . 0.0 109.334 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -100.52 145.77 27.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 110.3 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -99.23 137.24 38.03 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.542 1.151 . . . . 0.0 111.027 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . 0.424 ' CE1' ' O ' ' A' ' 64' ' ' GLY . 16.6 t80 -162.15 160.49 27.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.99 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.424 ' O ' ' CE1' ' A' ' 63' ' ' TYR . . . -162.04 -143.65 3.75 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 1.3 tp -120.37 131.91 71.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.44 0.73 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . 0.55 ' HB ' HG21 ' A' ' 82' ' ' VAL . 0.2 OUTLIER -123.78 141.45 52.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.45 1.094 . . . . 0.0 110.419 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -162.03 138.43 7.94 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 109.292 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 92.59 80.92 1.45 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.462 ' CG ' ' HA3' ' A' ' 38' ' ' GLY . 18.3 Cg_endo -75.04 -48.97 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.496 1.787 . . . . 0.0 110.958 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.58 ' HA ' HG23 ' A' ' 79' ' ' ILE . . . -152.0 139.41 19.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.122 . . . . 0.0 109.242 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -95.89 175.16 6.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 0.0 111.011 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.23 130.1 8.01 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.257 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.45 HG12 ' HB2' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -121.68 142.19 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.342 179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 171.69 -55.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -120.08 -47.34 2.38 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 0.0 109.297 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.401 ' O ' ' C ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -136.21 87.93 2.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.566 1.166 . . . . 0.0 107.993 -179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.45 ' HB2' HG12 ' A' ' 73' ' ' ILE . . . -39.94 -66.29 0.32 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 16.3 p 60.74 57.33 2.71 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.006 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.58 HG23 ' HA ' ' A' ' 70' ' ' ALA . 35.2 mt -79.87 158.97 4.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.354 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.415 ' CD2' ' CB ' ' A' ' 111' ' ' ALA . 18.4 m-85 -130.34 112.03 12.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.479 1.112 . . . . 0.0 110.944 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -37.38 -87.04 0.01 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.514 1.134 . . . . 0.0 110.994 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.55 HG21 ' HB ' ' A' ' 66' ' ' THR . 6.2 p -173.48 171.94 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.469 0.746 . . . . 0.0 109.348 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.544 ' H ' HG22 ' A' ' 82' ' ' VAL . 6.2 m -144.46 104.24 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.238 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -119.52 -164.01 12.51 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.486 1.116 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 4.2 p -146.33 135.34 16.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.48 0.753 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -73.71 153.49 47.42 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.517 1.136 . . . . 0.0 111.001 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -105.93 137.54 43.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.544 0.791 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -89.6 84.61 1.39 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.5 1.125 . . . . 0.0 111.005 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.5 61.9 0.38 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 0.777 . . . . 0.0 109.343 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -83.16 150.35 26.3 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 111.006 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . . . . . . . . . 1.4 mm-40 -108.65 174.26 5.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.29 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.45 ' OG1' ' ND2' ' A' ' 100' ' ' ASN . 19.2 m -152.77 140.08 19.52 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.393 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.418 ' O ' ' HB3' ' A' ' 94' ' ' GLU . 54.0 m 65.69 -95.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.395 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . 0.418 ' HB3' ' O ' ' A' ' 93' ' ' THR . 1.0 OUTLIER 179.82 41.49 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 110.29 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 37.8 m-85 -157.81 161.12 29.55 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.583 1.177 . . . . 0.0 111.012 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -18.64 18.54 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.498 1.788 . . . . 0.0 111.013 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.4 m -70.86 -34.91 72.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.137 . . . . 0.0 110.399 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . 0.406 ' O ' ' HB ' ' A' ' 92' ' ' THR . 42.5 m-85 -116.66 101.21 8.39 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.442 1.089 . . . . 0.0 111.054 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 4.6 pttt -141.78 153.16 44.36 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.514 1.133 . . . . 0.0 109.339 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.45 ' ND2' ' OG1' ' A' ' 92' ' ' THR . 8.7 m-80 -94.94 60.19 2.4 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 20.6 t0 -73.38 130.6 40.51 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.138 . . . . 0.0 109.301 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -179.21 151.13 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.407 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.46 99.81 1.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.479 1.112 . . . . 0.0 110.05 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -118.1 110.12 17.25 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 40.1 m-85 -111.91 90.22 3.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 110.974 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -106.84 79.75 0.27 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.463 1.102 . . . . 0.0 110.982 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -62.75 125.93 25.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.469 0.746 . . . . 0.0 111.007 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 55.0 p -106.08 127.89 53.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 110.021 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . 0.425 ' CD1' ' C ' ' A' ' 109' ' ' TYR . 3.7 p90 -140.28 143.79 36.09 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.512 1.133 . . . . 0.0 110.978 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -179.09 119.96 0.67 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.484 1.115 . . . . 0.0 110.977 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.415 ' CB ' ' CD2' ' A' ' 80' ' ' TYR . . . -116.12 148.83 39.9 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.549 0.793 . . . . 0.0 109.312 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.609 ' C ' HD23 ' A' ' 113' ' ' LEU . . . 111.01 131.9 5.99 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.563 1.164 . . . . 0.0 111.02 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.609 HD23 ' C ' ' A' ' 112' ' ' GLY . 0.4 OUTLIER 177.78 40.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 0.749 . . . . 0.0 109.296 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -82.08 133.09 35.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 110.315 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . 0.609 ' CD2' ' O ' ' A' ' 115' ' ' PHE . 52.6 p90 -85.32 109.12 18.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.438 1.086 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.402 ' OD1' ' O ' ' A' ' 115' ' ' PHE . 3.4 m-20 174.08 65.42 0.04 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.5 ' HG3' HG13 ' A' ' 121' ' ' VAL . 18.4 Cg_endo -75.02 -51.91 0.11 Allowed 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.524 1.802 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER 178.2 -42.58 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 111.037 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 28.1 mt-10 -84.99 -85.45 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.548 1.155 . . . . 0.0 110.302 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 42.7 t30 178.01 57.44 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.5 HG13 ' HG3' ' A' ' 117' ' ' PRO . 2.8 p -131.34 153.69 39.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -100.06 156.46 17.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.45 1.094 . . . . 0.0 109.283 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . . . . . . . . . 4.0 pp -175.78 141.0 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . 0.425 ' HB3' HG23 ' A' ' 141' ' ' ILE . 35.6 m-20 -88.75 137.89 31.91 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -128.74 90.78 3.11 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.559 1.162 . . . . 0.0 110.973 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 56.1 p -159.44 155.2 26.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.533 1.146 . . . . 0.0 110.002 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -125.39 128.41 48.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.555 1.159 . . . . 0.0 110.971 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 15.0 mt-10 -107.76 85.63 2.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 0.0 110.253 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . . . . . . . . . 7.4 mt-30 -105.14 125.6 51.16 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.529 1.143 . . . . 0.0 110.284 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 1.2 m -87.29 177.17 7.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.979 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . 0.403 ' CD ' ' HB ' ' A' ' 135' ' ' VAL . 4.1 mtp180 51.69 -174.31 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 110.288 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.491 HG23 ' O ' ' A' ' 132' ' ' ILE . 6.4 tt -91.33 43.31 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.455 1.097 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . . . . . . . . . 1.7 ttt180 75.34 5.76 4.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.29 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . . . . . . . . . 41.6 t -84.24 -41.05 17.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 110.028 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.42 ' O ' ' CB ' ' A' ' 136' ' ' ASP . 84.0 t -133.2 157.82 42.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . 0.42 ' CB ' ' O ' ' A' ' 135' ' ' VAL . 2.3 t70 76.02 166.51 0.26 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.488 1.117 . . . . 0.0 109.291 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . 0.732 HG12 ' H ' ' A' ' 138' ' ' GLY . 1.9 t -137.72 -175.4 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . 0.732 ' H ' HG12 ' A' ' 137' ' ' VAL . . . -98.63 154.01 19.97 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.492 1.12 . . . . 0.0 111.013 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . . . . . . . . . 9.4 t -103.48 142.06 34.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.497 0.763 . . . . 0.0 110.367 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -93.96 96.18 9.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 108.006 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.425 HG23 ' HB3' ' A' ' 124' ' ' ASP . 4.6 tp -91.29 137.56 21.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 109.303 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . . . . . . . . . . . -168.48 122.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 109.33 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -149.51 -164.29 11.59 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.554 1.159 . . . . 0.0 111.054 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . . . . . . . . . 10.0 p -101.55 153.67 4.99 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.782 . . . . 0.0 109.295 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -133.18 106.08 0.61 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -111.07 123.65 50.61 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.506 0.768 . . . . 0.0 110.985 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -109.03 136.01 49.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . . . . . . . . . 28.5 t80 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 111.003 -179.979 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 4' ' ' THR . . . . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.319 -0.622 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' THR . . . . . 0.418 ' HB ' ' CB ' ' A' ' 148' ' ' PHE . 22.3 m 62.78 -97.63 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.416 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -134.77 55.1 1.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.538 1.149 . . . . 0.0 110.015 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 1' ' ' ALA . 12.1 t -131.74 159.69 37.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.394 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 10.0 p -111.53 141.85 25.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.147 . . . . 0.0 109.302 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.4 m -117.28 100.12 7.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.11 . . . . 0.0 110.429 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.539 ' O ' HG12 ' A' ' 144' ' ' VAL . . . -116.79 133.54 10.75 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.478 1.111 . . . . 0.0 111.007 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . -152.19 171.55 31.49 Favored Glycine 0 CA--C 1.53 1.005 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' TYR . . . . . 0.494 ' H ' HG21 ' A' ' 141' ' ' ILE . 68.5 m-85 -129.51 127.13 40.18 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.489 0.758 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.798 ' HB2' HG23 ' A' ' 139' ' ' THR . . . -119.81 132.95 55.74 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.501 ' O ' ' CB ' ' A' ' 12' ' ' SER . 15.6 pt20 -171.06 -166.28 0.47 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.465 1.103 . . . . 0.0 110.282 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 11' ' ' GLN . 1.0 OUTLIER 85.62 -68.75 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.454 1.096 . . . . 0.0 110.004 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -96.8 114.17 25.78 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -156.11 78.93 0.97 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.486 ' HG3' HG22 ' A' ' 135' ' ' VAL . 44.4 tt0 74.75 -60.79 0.51 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 110.279 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -139.04 -63.0 0.04 OUTLIER Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.456 1.098 . . . . 0.0 111.031 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER 176.04 50.16 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 0.0 110.262 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -131.03 73.38 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.987 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.438 ' CB ' ' OE1' ' A' ' 47' ' ' GLU . 29.5 t-20 -172.61 97.07 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 1.148 . . . . 0.0 109.294 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.8 mtpt -108.51 54.84 0.65 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.335 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER 178.53 -80.64 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.22 -72.53 0.31 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.464 1.102 . . . . 0.0 111.017 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.47 -170.45 43.51 Favored Glycine 0 CA--C 1.53 0.995 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 2.7 t80 -143.94 132.74 22.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 0.767 . . . . 0.0 110.981 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -114.93 127.26 55.58 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 11.1 tp -151.58 102.57 2.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.103 . . . . 0.0 109.304 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -165.47 -167.93 1.25 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 6.4 m-85 -126.59 175.56 7.85 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.133 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.93 126.18 45.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -99.04 61.72 1.26 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.477 1.11 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -127.28 61.55 1.37 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.325 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 -173.32 56.22 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.7 t0 176.23 54.55 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.138 . . . . 0.0 109.262 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 57.58 89.89 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.13 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.0 p 179.98 105.99 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.031 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -51.51 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.468 1.772 . . . . 0.0 111.008 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.767 ' C ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -84.15 153.2 23.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.81 163.33 14.37 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.522 ' O ' HG22 ' A' ' 39' ' ' VAL . 3.3 p -151.02 64.32 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.531 0.783 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.636 ' N ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -135.36 -174.09 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 -179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.66 -98.37 0.18 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.469 1.106 . . . . 0.0 110.978 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 15.1 p 175.7 -179.44 0.14 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.514 0.773 . . . . 0.0 110.039 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.518 ' O ' ' CG ' ' A' ' 43' ' ' PHE . 5.6 p90 -130.64 39.92 3.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.488 1.117 . . . . 0.0 110.986 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 43' ' ' PHE . 0.5 OUTLIER 177.75 146.19 0.12 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.369 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.513 ' CG ' ' O ' ' A' ' 45' ' ' TYR . 64.4 t80 -178.29 42.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.97 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.98 161.06 21.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 110.396 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.449 ' CG ' ' N ' ' A' ' 48' ' ' LYS . 0.2 OUTLIER -79.32 -155.01 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 0.0 110.294 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.449 ' N ' ' CG ' ' A' ' 47' ' ' GLU . 0.0 OUTLIER -77.14 -64.5 1.12 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.509 1.131 . . . . 0.0 109.315 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.39 -150.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.155 . . . . 0.0 110.01 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -152.94 139.1 18.3 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.284 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . . . . . . . . . 1.8 t -159.03 61.57 0.41 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 110.375 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -169.77 84.09 0.12 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.142 . . . . 0.0 109.311 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 74.0 105.83 0.07 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.987 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 49.4 m 64.65 39.82 6.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.021 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 56' ' ' ASP . . . -80.28 -45.35 8.17 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.467 1.104 . . . . 0.0 111.015 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . 0.519 ' O ' ' CG ' ' A' ' 57' ' ' TYR . 30.7 t0 40.43 68.5 0.4 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 0.78 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' TYR . . . . . 0.519 ' CG ' ' O ' ' A' ' 56' ' ' ASP . 0.8 OUTLIER 176.23 -78.28 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.49 ' CB ' ' O ' ' A' ' 57' ' ' TYR . 2.8 t30 81.75 -66.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.123 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 17.0 mmtt 40.31 80.49 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.323 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -49.45 -56.7 8.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 175.53 141.17 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.526 1.141 . . . . 0.0 110.346 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -92.44 129.13 38.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.503 1.127 . . . . 0.0 110.999 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TYR . . . . . . . . . . . . . 8.4 m-85 -102.42 85.44 2.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.962 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -92.86 119.81 5.99 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.478 1.111 . . . . 0.0 110.991 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ILE . . . . . . . . . . . . . 4.1 mp -88.19 89.14 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.554 0.797 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' THR . . . . . . . . . . . . . 23.6 m -95.47 75.36 3.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.427 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ALA . . . . . . . . . . . . . . . -174.94 -70.07 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.446 1.091 . . . . 0.0 109.296 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 49.03 -160.15 0.79 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 110.64 3.16 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.471 1.774 . . . . 0.0 110.996 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.77 146.52 27.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 0.0 109.258 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' TYR . . . . . 0.408 ' O ' ' CD1' ' A' ' 80' ' ' TYR . 40.2 t80 -176.68 138.1 0.28 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.989 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 174.71 86.31 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.52 1.138 . . . . 0.0 110.321 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ILE . . . . . 0.431 ' O ' ' N ' ' A' ' 75' ' ' ASP . 78.2 mt 46.7 84.8 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 -58.94 87.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ILE . 0.3 OUTLIER -119.58 -56.54 2.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.541 ' CG ' ' O ' ' A' ' 76' ' ' TRP . 10.9 t90 176.72 53.88 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.78 -172.5 2.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.491 1.119 . . . . 0.0 109.276 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.0 t -170.56 91.14 0.17 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.013 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 1.1 pp -125.31 128.76 72.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' TYR . . . . . 0.408 ' CD1' ' O ' ' A' ' 71' ' ' TYR . 1.3 t80 -177.25 166.79 2.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -74.58 163.18 54.32 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.487 1.117 . . . . 0.0 110.989 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 29.7 m -127.09 147.57 31.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.521 0.777 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 21.1 m -118.94 135.46 59.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.319 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -138.85 143.05 13.63 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.545 1.153 . . . . 0.0 111.001 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' VAL . . . . . . . . . . . . . 12.5 p -137.17 121.68 23.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.482 0.754 . . . . 0.0 109.279 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -84.41 151.62 26.99 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.528 1.142 . . . . 0.0 111.004 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' TYR . . . . . . . . . . . . . 11.1 t80 -108.59 134.98 50.6 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 0.763 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLY . . . . . . . . . . . . . . . -51.31 121.65 12.6 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.435 1.085 . . . . 0.0 111.034 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.9 mttt 177.33 84.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.481 0.753 . . . . 0.0 109.339 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.414 ' O ' ' C ' ' A' ' 91' ' ' GLN . 2.5 p90 -164.69 -169.34 1.7 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLN . . . . . 0.422 ' N ' ' O ' ' A' ' 57' ' ' TYR . 5.9 pt20 38.0 -148.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.286 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.525 HG22 ' N ' ' A' ' 93' ' ' THR . 0.3 OUTLIER 74.03 -56.64 0.64 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 110.431 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' THR . . . . . 0.525 ' N ' HG22 ' A' ' 92' ' ' THR . 3.2 t -69.31 59.78 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 110.401 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLU . . . . . . . . . . . . . 78.0 tt0 -134.63 -46.6 0.74 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.543 1.152 . . . . 0.0 110.273 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -148.78 167.07 13.88 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.966 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 57.91 4.7 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.47 1.774 . . . . 0.0 111.01 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 69.6 p -133.67 -45.24 0.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.374 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 54.33 98.35 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 0.0 111.055 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.91 -63.13 1.23 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 42.95 49.7 5.23 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.246 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -40.81 146.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 109.271 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.477 HG23 ' O ' ' A' ' 102' ' ' THR . 7.4 t -83.21 58.99 4.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.447 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' SER . . . . . . . . . . . . . 50.3 m -136.64 69.95 1.41 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.012 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -92.97 99.17 11.85 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -136.28 123.84 22.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -157.51 132.63 3.25 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 0.0 110.955 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.18 104.07 8.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 0.754 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.418 ' HA ' ' HB3' ' A' ' 129' ' ' GLN . 23.6 p -84.83 170.58 13.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.536 1.148 . . . . 0.0 110.004 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.68 119.94 7.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 111.019 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -130.34 155.17 20.95 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.497 1.123 . . . . 0.0 110.999 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -141.18 119.43 12.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 0.778 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLY . . . . . 0.452 ' HA2' ' CD2' ' A' ' 123' ' ' LEU . . . -105.78 94.94 1.02 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.485 1.116 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 52.1 tp -102.26 142.27 33.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.48 0.753 . . . . 0.0 109.285 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' GLN . . . . . . . . . . . . . 3.7 tt0 -92.26 68.81 5.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.299 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -125.2 96.06 4.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 111.021 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASN . . . . . 0.441 ' HB2' HG23 ' A' ' 121' ' ' VAL . 19.7 p-10 -140.05 147.23 49.86 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PRO . . . . . 0.512 ' O ' ' CB ' ' A' ' 118' ' ' MET . 18.4 Cg_endo -74.93 1.42 7.72 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.526 1.803 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' MET . . . . . 0.512 ' CB ' ' O ' ' A' ' 117' ' ' PRO . 0.0 OUTLIER 82.53 49.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.978 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLU . . . . . . . . . . . . . 6.2 tt0 -115.99 -64.7 1.28 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 110.308 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -179.65 37.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.441 HG23 ' HB2' ' A' ' 116' ' ' ASN . 2.4 m -130.53 151.74 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.334 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' ALA . . . . . . . . . . . . . . . -162.57 44.85 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.15 . . . . 0.0 109.306 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.452 ' CD2' ' HA2' ' A' ' 112' ' ' GLY . 0.2 OUTLIER -179.41 42.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.31 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -68.1 -37.36 81.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.13 93.85 8.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.571 1.169 . . . . 0.0 110.99 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -115.67 134.99 54.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.001 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -79.91 162.64 24.87 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.991 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -94.03 128.08 40.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 108' ' ' SER . 5.3 mp0 -79.09 -164.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.142 . . . . 0.0 110.282 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -153.15 -162.81 1.55 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.981 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ARG . . . . . . . . . . . . . 24.3 ttp180 177.3 -35.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.285 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ILE . . . . . 0.443 ' O ' ' C ' ' A' ' 133' ' ' ARG . 1.9 mt -137.79 154.05 28.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 109.278 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 132' ' ' ILE . 0.6 OUTLIER -35.83 -81.46 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' SER . . . . . 0.449 ' O ' HG23 ' A' ' 135' ' ' VAL . 0.6 OUTLIER -83.45 55.76 3.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.015 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' VAL . . . . . 0.486 HG22 ' HG3' ' A' ' 15' ' ' GLN . 13.9 t -152.72 126.79 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -143.54 130.34 20.37 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' VAL . . . . . . . . . . . . . 47.9 t -90.3 109.46 20.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' GLY . . . . . . . . . . . . . . . -74.78 119.68 6.1 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.798 HG23 ' HB2' ' A' ' 10' ' ' ALA . 43.2 m -110.25 81.75 1.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 0.758 . . . . 0.0 110.383 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -104.41 90.7 3.62 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 108.017 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ILE . . . . . 0.668 HG23 ' N ' ' A' ' 142' ' ' ALA . 0.5 OUTLIER -160.76 -167.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.335 179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ALA . . . . . 0.668 ' N ' HG23 ' A' ' 141' ' ' ILE . . . -136.32 167.57 21.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 109.302 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLY . . . . . . . . . . . . . . . -93.65 -163.53 36.54 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.53 1.144 . . . . 0.0 110.984 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' VAL . . . . . 0.539 HG12 ' O ' ' A' ' 7' ' ' GLY . 7.3 p -169.67 78.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.474 0.749 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . . . . . . . . . . . -118.55 141.58 16.21 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.421 1.076 . . . . 0.0 110.958 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' TYR . . . . . 0.571 ' CD2' ' O ' ' A' ' 146' ' ' TYR . 31.2 p90 -117.18 72.59 0.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.527 0.78 . . . . 0.0 111.02 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ARG . . . . . 0.464 ' CG ' ' O ' ' A' ' 146' ' ' TYR . 0.0 OUTLIER 164.31 -174.14 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.136 . . . . 0.0 110.301 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' PHE . . . . . 0.418 ' CB ' ' HB ' ' A' ' 2' ' ' THR . 11.9 m-85 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 111.002 -179.996 . . . . . . . . 1 1 . 1 stop_ save_