data_2ejm_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 2ejm _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.8 12.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 mt -134.33 126.37 29.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.72 148.78 2.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.51 176.3 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -65.61 109.0 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.81 -168.11 13.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.6 m -127.07 134.57 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.472 HD12 ' CG ' ' A' ' 45' ' ' MET . 32.6 mm -68.16 115.29 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 22.4 tp10 -88.49 -49.37 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -132.35 160.64 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -141.48 104.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.51 50.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.8 m -149.39 -175.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.25 166.06 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.74 148.86 48.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.13 27.37 59.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.476 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 25.6 t0 -98.05 173.05 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -126.05 127.85 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -127.08 174.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.2 mttm -132.57 133.56 43.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.13 120.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.44 39.07 7.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.72 148.82 32.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.5 OUTLIER -73.35 96.46 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.433 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 90.7 mt -73.02 -67.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.468 ' HE3' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -140.38 176.15 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -124.85 132.67 71.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.472 ' CG ' HD12 ' A' ' 25' ' ' ILE . 5.8 mtp -113.96 165.18 12.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.44 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 12.3 mm -137.72 109.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.57 -79.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.55 54.63 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttm 49.99 23.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.8 ttp -123.44 149.84 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -84.21 116.1 22.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -106.71 100.82 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.441 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 81.5 m -74.23 101.56 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.95 96.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 145.98 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.24 139.55 87.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 18.4 Cg_endo -75.0 -30.65 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -154.08 -176.37 5.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.93 153.84 18.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.92 172.16 32.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.6 m -93.21 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 53.9 t -44.11 118.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -75.7 -52.84 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.34 146.45 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG1' ' HE3' ' A' ' 43' ' ' MET . 2.4 t -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 49.6 m-85 -106.57 25.18 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 28.8 m-85 -157.52 149.39 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.51 -176.05 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.89 129.55 42.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.52 32.39 51.21 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.49 152.43 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -110.2 115.81 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.54 164.21 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG22 ' A' ' 77' ' ' THR . 1.5 t30 -117.62 168.03 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 117.97 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.5 m170 71.7 64.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.47 HG22 ' CB ' ' A' ' 74' ' ' ASN . 23.5 p -130.54 153.79 81.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.31 7.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.92 -48.3 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -139.12 152.65 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.06 131.24 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.78 153.28 23.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.0 25.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -126.6 127.41 45.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.64 145.18 6.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.84 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.7 167.72 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -73.87 105.15 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.24 -155.62 6.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.3 m -127.23 145.93 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 8.5 mm -75.67 120.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -96.01 -48.42 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -136.0 156.47 48.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.7 t -137.47 100.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -100.21 50.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 29.2 m -149.69 -174.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.83 -165.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.24 145.36 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.11 25.7 66.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.38 158.6 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 132.65 56.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.37 161.9 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 134.17 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.55 114.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.91 3.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.06 143.19 42.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 p -68.74 91.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.461 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 33.8 mt -62.67 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.31 176.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -126.6 129.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.423 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 72.2 mtp -111.96 169.28 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mm -135.38 121.96 33.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.23 -72.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' MET . 4.0 mtt -109.13 74.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.39 31.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.401 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.9 mmt -131.42 148.3 52.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -95.23 120.37 35.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -102.41 128.14 49.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -97.22 98.87 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.99 94.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -79.99 136.73 36.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.06 141.48 76.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.45 10.97 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -165.8 173.41 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.97 128.57 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.93 161.56 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.3 m -96.79 103.73 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 62.6 t -44.24 119.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -79.24 -56.04 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.14 143.22 16.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 10.6 t -92.19 150.52 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -108.72 -29.63 8.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -118.68 143.54 46.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -123.08 -175.3 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.18 136.42 52.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.26 49.31 71.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.402 ' HB1' ' CG1' ' A' ' 25' ' ' ILE . . . -118.4 149.62 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -98.21 112.45 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.83 164.08 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' CB ' HG22 ' A' ' 77' ' ' THR . 3.3 m-80 -114.12 167.7 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 24.7 ttp180 -70.5 112.18 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.6 m170 80.86 60.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.465 HG22 ' CB ' ' A' ' 74' ' ' ASN . 8.1 p -127.63 152.85 77.39 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.6 mt -81.13 -52.21 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 m -130.24 161.08 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.97 128.97 53.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -83.5 155.04 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.1 35.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -123.56 141.55 51.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' A' ' 79' ' ' LEU . . . -53.69 138.83 51.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.22 2.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.448 1.762 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.5 ttt -161.66 172.6 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.0 m -70.52 123.3 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.1 -157.35 9.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' SD ' ' A' ' 45' ' ' MET . 60.0 m -133.04 129.66 38.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 45' ' ' MET . 14.3 mm -63.65 101.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.5 tp10 -67.15 -52.11 45.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 172.65 12.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.3 t -149.22 100.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -98.93 51.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.5 m -149.4 -173.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.28 -164.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -102.13 143.15 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.74 25.79 70.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.502 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.4 OUTLIER -98.47 169.89 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 129.8 49.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.41 174.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.15 135.97 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.38 122.97 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 45.14 6.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -121.63 137.55 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -62.51 103.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.1 mt -79.89 -67.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.27 176.19 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.2 t -124.73 137.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.467 ' CG ' HD12 ' A' ' 25' ' ' ILE . 7.9 mmm -122.81 162.07 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.85 113.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.37 -69.19 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.426 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -113.17 76.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.06 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -130.96 146.95 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.25 123.88 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -110.4 109.64 20.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.603 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 m -83.33 97.39 8.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.39 94.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -81.04 143.99 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.81 137.79 86.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.98 13.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -165.08 178.87 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.48 152.16 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.93 172.17 32.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 2.6 m -114.4 106.56 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.3 t -43.32 122.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -85.54 -56.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -149.46 141.87 24.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.429 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 43.9 t -93.17 163.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 61.0 m-85 -120.41 -37.23 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 42.3 m-85 -125.1 138.77 54.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.88 -169.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 131.78 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.59 30.99 61.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.55 152.69 20.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -105.81 113.01 26.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.52 162.5 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.48 ' CB ' HG22 ' A' ' 77' ' ' THR . 1.0 OUTLIER -118.15 168.42 10.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -69.13 121.25 16.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 7.5 m170 78.84 51.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.48 HG22 ' CB ' ' A' ' 74' ' ' ASN . 72.8 p -126.92 156.24 74.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 129.66 12.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 19' ' ' ALA . 10.3 mt -100.6 -54.08 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.94 148.8 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.82 139.29 41.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -96.72 153.75 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.39 24.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -103.45 136.02 43.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.86 147.29 43.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ptp -148.87 -179.53 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.3 m -73.87 121.32 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.0 -156.57 8.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -133.0 146.33 51.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 28' ' ' VAL . 10.5 mm -77.34 118.05 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -93.13 -47.89 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -134.61 150.52 50.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.435 ' CG2' HG23 ' A' ' 25' ' ' ILE . 20.8 t -134.47 93.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -90.31 46.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -146.95 -176.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.0 166.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.76 145.32 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.75 31.61 72.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.478 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 17.5 t0 -103.26 173.87 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -124.01 131.56 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.68 170.32 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -134.05 137.41 44.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 58' ' ' LYS . . . -39.87 124.77 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.59 -42.36 1.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.7 142.83 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -76.65 100.83 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 81.5 mt -64.15 -68.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.96 176.34 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.0 t -127.67 131.67 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.435 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 74.1 mtp -112.63 169.12 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 17.1 mm -132.19 100.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.515 ' HB2' ' CD2' ' A' ' 52' ' ' HIS . . . -131.77 170.72 14.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.5 26.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 59.21 38.79 23.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.5 mmt -146.41 164.58 31.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -87.35 139.6 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 5.0 m-70 -133.98 144.62 48.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.4 m -117.8 100.83 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.97 101.6 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -81.21 147.04 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 42' ' ' LEU . 44.7 t -65.14 141.24 98.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -164.39 161.43 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.61 144.59 56.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.41 162.75 25.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 m -95.75 103.82 15.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.0 t -42.93 119.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.382 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -79.91 -53.25 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -157.11 146.15 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 HG11 ' CG1' ' A' ' 80' ' ' VAL . 2.6 t -93.74 149.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.405 ' CE1' ' NZ ' ' A' ' 64' ' ' LYS . 73.9 m-85 -105.61 -28.39 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -135.26 140.07 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 2.7 mtt180 -120.23 179.93 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.26 130.29 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.05 -21.98 31.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -62.02 153.18 30.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -115.32 114.95 25.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.84 164.05 13.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.508 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.9 OUTLIER -118.73 168.85 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.06 117.9 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 m170 68.69 71.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.508 HG21 ' CB ' ' A' ' 74' ' ' ASN . 18.1 p -137.35 155.72 75.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.1 -56.27 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.447 ' CG1' HG11 ' A' ' 65' ' ' VAL . 4.1 m -137.46 158.0 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -115.06 149.32 37.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -106.44 154.96 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.2 31.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -106.65 130.6 54.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.93 145.43 6.43 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.96 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.76 -178.16 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.2 m -82.24 105.92 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -143.13 -165.73 10.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.1 m -120.61 142.78 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 14.7 mm -72.47 116.62 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.54 -49.0 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.1 154.13 51.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.2 t -135.33 102.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -100.18 51.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.4 m -152.18 -177.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.96 -178.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.06 144.52 29.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.87 24.62 64.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -93.31 172.19 8.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -126.37 129.66 49.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.19 170.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -129.42 135.85 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.01 120.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.11 47.67 5.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -121.66 139.56 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -66.28 97.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.7 mt -73.1 -65.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -139.92 176.25 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.2 t -126.78 132.07 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 70.9 mtp -115.49 169.15 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.7 mm -136.41 113.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.17 -72.16 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmm -99.9 60.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt 47.59 25.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -125.42 146.86 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -85.88 119.86 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -104.07 129.01 51.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 m -98.19 100.33 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.63 95.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -80.17 142.99 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.89 139.75 96.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -26.58 10.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -164.33 165.12 22.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.56 142.96 40.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.66 175.34 46.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.4 m -102.84 100.23 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.747 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 90.2 t -42.82 111.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.76 -59.45 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.06 144.2 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 14.7 t -92.09 148.61 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.47 -27.63 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -119.91 148.48 43.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -131.19 179.25 6.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -53.35 135.99 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.8 80.46 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -119.89 150.09 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.35 112.24 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.66 164.04 11.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG22 ' A' ' 77' ' ' THR . 0.8 OUTLIER -112.11 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -66.35 111.73 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.72 67.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.47 HG22 ' CB ' ' A' ' 74' ' ' ASN . 2.2 p -127.31 155.59 76.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.66 -53.24 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.9 m -129.31 150.73 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -117.11 123.6 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.2 153.27 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.29 40.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.8 mt -110.36 137.73 47.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.75 152.02 13.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.62 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.456 1.766 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.5 ttt -159.34 168.41 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 m -57.81 110.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.16 -163.01 11.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -125.37 147.52 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.456 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 9.4 mm -77.16 122.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -95.65 -50.43 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -135.48 152.87 51.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -136.37 103.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.67 50.77 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 35.3 m -151.25 -174.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.451 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.57 174.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.24 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.29 68.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.451 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 43.6 t0 -94.83 173.48 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.7 130.96 52.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.1 163.9 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 38' ' ' ALA . 7.5 mttt -123.92 133.69 53.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.18 113.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.08 39.47 4.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.85 145.07 40.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.504 ' N ' ' HZ3' ' A' ' 55' ' ' LYS . 3.3 p -74.85 83.81 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.453 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 22.0 mt -56.96 -67.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.78 176.17 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.24 129.34 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.456 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 62.9 mtp -112.92 168.98 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -130.34 100.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.414 ' H ' ' CD2' ' A' ' 52' ' ' HIS . . . -132.82 168.87 17.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 45.8 24.23 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.39 34.03 18.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.4 mmm -142.13 169.76 16.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.67 138.54 32.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 47' ' ' ALA . 2.9 m-70 -134.15 148.08 50.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 m -117.93 104.45 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -74.2 96.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HZ3' ' N ' ' A' ' 41' ' ' SER . 2.8 mmtt -79.38 149.68 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.2 137.52 91.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.23 11.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -165.61 166.07 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.44 143.65 34.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -180.0 -169.19 39.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -115.22 100.57 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.9 t -44.25 100.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.7 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.26 146.32 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 19.4 t -95.58 144.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.61 -31.26 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.3 140.9 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -121.31 -174.32 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.52 137.83 52.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.9 47.03 92.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.82 146.03 43.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.21 113.19 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -103.84 164.41 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.466 ' CB ' HG22 ' A' ' 77' ' ' THR . 1.2 m120 -117.94 168.6 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 116.94 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 66.93 70.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.554 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.466 HG22 ' CB ' ' A' ' 74' ' ' ASN . 1.9 p -128.73 153.39 79.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.57 2.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.0 mt -83.15 -59.68 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -124.29 160.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.63 121.42 35.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.72 153.55 32.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.38 38.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -120.88 136.7 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.42 144.03 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -45.15 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -154.6 160.24 41.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -61.62 106.71 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.27 -162.1 8.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ILE . 56.5 m -124.38 138.03 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 11.2 mm -69.1 126.07 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.2 -50.23 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -136.52 145.48 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.0 t -126.69 96.2 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 29.4 m-85 -95.7 49.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.0 m -147.21 -171.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 178.06 -169.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.5 139.45 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.05 27.58 73.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -100.27 173.27 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -125.16 134.58 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.08 168.12 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 4.1 mmtp -125.26 134.23 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.25 115.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.67 4.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.74 148.4 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.6 OUTLIER -73.91 88.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.47 -69.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.08 176.31 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.15 136.48 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.45 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 79.9 mtp -121.4 167.21 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.1 mm -139.35 111.87 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.89 -87.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.431 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -106.27 88.21 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? 41.88 28.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' MET . 13.5 tpp -130.68 146.23 52.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -101.19 139.1 37.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -125.91 151.42 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.631 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' THR . . . . . 0.476 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 22.8 m -119.1 103.68 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.88 95.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -81.34 127.69 33.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.59 139.98 8.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.38 8.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -163.96 175.41 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.65 152.81 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.7 167.14 23.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.2 m -106.34 105.91 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 67.3 t -43.79 124.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -84.76 -51.81 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -162.27 141.4 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 21.7 t -91.19 157.32 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -115.18 -28.93 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -120.43 143.57 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -122.14 -169.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.65 141.41 58.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.46 47.73 88.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.576 1.172 . . . . 0.0 111.054 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.57 151.63 35.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -98.62 110.75 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.37 164.18 11.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 77' ' ' THR . 0.7 OUTLIER -116.49 168.14 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 119.9 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m170 68.38 63.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 74' ' ' ASN . 12.4 p -124.81 154.57 70.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 110.22 3.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.449 1.762 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.4 mt -85.99 -61.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.6 m -124.34 157.26 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -116.54 134.86 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -88.78 155.07 19.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 161.46 38.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.8 mt -120.23 125.09 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 141.84 2.15 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.7 ttt -145.27 170.61 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.6 m -58.89 127.66 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.37 176.82 43.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.2 m -113.72 145.75 40.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.362 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 16.7 mm -77.39 116.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -93.39 -48.71 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.45 150.81 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 43' ' ' MET . 52.6 t -132.23 102.77 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 25.1 m-85 -97.95 50.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 27.0 m -145.52 -175.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.57 166.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.15 143.7 48.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.42 24.81 66.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 15.1 t0 -93.55 169.95 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -126.14 131.73 51.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.62 156.48 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.94 135.81 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.68 112.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.8 31.68 6.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.96 150.27 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.49 99.43 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 54.2 mt -71.67 -68.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.457 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.22 176.28 8.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.1 t -126.16 123.41 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.439 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 76.3 mtp -106.48 168.61 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mm -129.84 99.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.25 166.22 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.2 mmt 51.73 20.23 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.71 17.65 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -127.63 -179.36 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -112.59 138.95 48.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.09 159.75 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -121.15 106.98 12.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.28 117.44 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -91.86 155.61 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -73.56 141.31 79.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.61 8.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -166.78 169.91 12.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.53 145.48 36.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.43 174.09 40.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.0 m -99.73 108.4 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.1 t -48.49 101.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -58.66 -62.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -158.76 145.5 17.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 42.3 t -91.42 140.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -100.46 -38.08 8.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -105.62 148.15 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -132.29 178.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.14 129.2 39.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.47 27.71 46.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.56 145.83 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -104.59 110.69 23.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.08 164.33 11.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.499 ' CB ' HG22 ' A' ' 77' ' ' THR . 0.8 OUTLIER -114.37 168.7 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -64.87 112.44 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 79.24 65.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.549 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.499 HG22 ' CB ' ' A' ' 74' ' ' ASN . 16.6 p -132.43 154.85 81.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.14 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 mt -98.31 -57.54 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 m -126.04 152.86 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -110.47 157.07 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.8 152.3 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.252 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.11 42.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.7 mt -116.07 130.36 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.84 148.15 14.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ttt -151.41 163.56 38.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 75' ' ' ARG . 53.5 m -63.67 111.3 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.92 -156.89 7.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.2 m -132.25 140.06 48.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.441 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 10.3 mm -72.02 128.29 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.15 -47.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -134.8 143.38 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.428 ' CG2' HG22 ' A' ' 25' ' ' ILE . 65.5 t -130.51 102.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' LEU . 32.6 m-85 -98.55 47.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 18.0 m -147.91 -171.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 175.13 -175.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.21 143.71 27.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.21 30.83 77.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.446 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 38.7 t0 -103.16 171.74 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.11 139.06 54.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.27 171.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.33 134.97 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.24 118.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.56 36.09 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.76 150.58 26.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -79.76 96.95 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 41.0 mt -70.37 -69.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -139.88 176.07 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.8 t -127.96 122.16 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.441 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 76.2 mtp -101.73 167.81 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.426 ' CD1' ' CB ' ' A' ' 51' ' ' GLU . 34.2 mm -127.5 99.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.5 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 mtt 50.26 26.88 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 24.63 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.483 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 2.9 ttt -143.17 150.57 39.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.426 ' CB ' ' CD1' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -91.78 147.54 22.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.483 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 9.5 m-70 -134.05 160.09 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -112.11 103.28 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.422 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.9 105.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -78.98 148.65 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -62.98 141.99 97.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.98 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.26 -176.36 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.37 156.76 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.91 -162.08 29.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 m -120.91 133.57 55.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.4 t -77.06 103.09 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -61.09 -54.11 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HE3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -152.74 178.29 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.4 ' N ' ' HE3' ' A' ' 64' ' ' LYS . 13.4 t -123.05 171.48 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 81.2 m-85 -122.95 -38.68 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -126.69 138.47 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 8.2 mtt-85 -113.46 -173.43 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -49.62 149.05 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.91 49.61 9.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -111.13 162.64 14.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -109.86 115.8 30.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.75 164.0 13.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.487 ' CB ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -118.18 168.45 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 22' ' ' THR . 3.2 ttp180 -63.61 114.69 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.45 68.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.487 HG23 ' CB ' ' A' ' 74' ' ' ASN . 10.9 p -132.5 154.2 81.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 118.08 5.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.22 -57.63 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -125.26 142.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.2 tt0 -101.18 117.71 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.73 155.27 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.14 18.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.559 1.82 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 76' ' ' HIS . 29.1 mt -86.1 153.67 21.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.99 142.23 98.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.07 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.426 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 1.5 ttt -174.46 157.27 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.4 m -57.87 105.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.0 -164.73 11.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -124.01 142.33 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.449 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.419 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 13.2 mm -75.62 121.93 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.46 -51.92 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.34 147.11 52.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.8 t -131.3 100.24 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -97.64 49.43 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.2 m -147.64 -172.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.482 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.52 166.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 142.31 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.7 33.53 85.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 61' ' ' THR . 19.8 t0 -101.99 173.28 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.41 136.0 52.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.72 158.18 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.96 137.41 47.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.24 113.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.68 45.8 3.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.49 147.57 37.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -74.18 91.92 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 47.2 mt -64.78 -69.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.03 176.18 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.4 t -126.12 128.06 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.419 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 43.7 mtp -109.43 169.29 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -139.85 126.21 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -128.38 -82.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ptp -88.33 68.26 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mttm 42.74 33.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.15 150.51 51.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -95.89 123.72 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.415 ' NE2' ' HB1' ' A' ' 47' ' ' ALA . 7.4 m-70 -103.51 152.62 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -120.59 99.53 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 79' ' ' LEU . 2.1 mp -71.25 99.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -82.01 139.72 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.5 138.08 96.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 173.52 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.83 123.73 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.35 177.1 36.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 16.7 m -113.48 105.99 14.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.9 t -43.69 115.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -75.47 -56.4 4.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -155.31 146.42 22.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 42.6 t -93.67 146.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -104.8 -39.69 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 73' ' ' ALA . 53.8 m-85 -113.6 141.69 46.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -112.74 -174.68 2.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.0 147.32 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 52.03 40.48 51.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.24 144.18 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -100.54 126.21 46.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . . . -131.71 160.24 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -100.32 167.71 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 49.7 ttt180 -78.06 147.79 34.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 75' ' ' ARG . 6.2 m80 90.68 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.3 p -57.49 148.28 55.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 54' ' ' ILE . 43.2 mt -69.12 -55.44 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.11 159.29 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -112.61 120.68 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -77.92 155.12 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.52 38.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -118.83 135.44 54.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.61 144.15 25.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ptp -153.76 170.9 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 m -68.33 113.88 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.42 -160.57 9.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -124.39 141.21 52.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.443 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 20.0 mm -74.74 107.54 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.59 -51.91 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' CG ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -132.51 170.88 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.404 ' HA ' ' CG ' ' A' ' 43' ' ' MET . 54.4 t -149.61 103.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.14 47.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.0 m -144.77 179.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.49 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 175.9 165.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.46 144.13 56.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.71 25.12 63.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.49 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 20.5 t70 -92.71 173.34 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -126.35 131.9 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.66 164.46 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 3.8 mttm -131.77 140.46 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 58' ' ' LYS . . . -39.9 119.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.12 -39.75 2.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.14 142.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.42 104.63 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 81.2 mt -70.3 -67.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.404 ' CG ' ' HA ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -142.3 176.46 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.22 131.09 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.424 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 68.5 mtp -115.54 168.94 9.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mt -142.01 113.91 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -109.79 -74.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 ptp -96.47 65.47 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 46.09 28.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.68 141.46 51.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.07 124.6 29.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -106.21 146.85 29.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.668 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -115.5 96.94 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.56 99.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 126.41 30.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 13.8 t -48.38 145.17 5.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.7 6.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.432 1.753 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -170.79 161.14 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.65 153.16 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.7 172.83 35.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.3 m -103.75 103.67 13.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 40.4 t -44.72 109.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -68.16 -60.58 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 4.4 tttp -157.24 140.02 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 25.4 t -89.35 154.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.88 -32.07 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -114.65 145.61 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -129.3 -179.39 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -56.16 133.87 52.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.35 38.01 53.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.16 152.49 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 0.805 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -108.2 113.93 27.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.15 163.99 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.454 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -109.64 167.82 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -71.54 109.99 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.0 m80 85.35 57.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.454 HG21 ' CB ' ' A' ' 74' ' ' ASN . 13.7 p -127.47 152.8 77.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.3 mt -89.65 -54.45 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 m -130.25 153.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -118.69 123.89 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -79.33 155.29 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.31 42.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -119.43 129.3 54.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 79' ' ' LEU . . . -50.77 147.14 8.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptp -146.68 167.48 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 m -59.62 109.19 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.37 -179.97 24.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 71' ' ' ALA . 55.2 m -116.64 132.97 56.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.482 HG21 ' CG2' ' A' ' 28' ' ' VAL . 19.5 mm -67.89 104.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 18.1 tp10 -76.71 -50.89 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -121.91 162.04 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.54 ' CG2' ' SD ' ' A' ' 43' ' ' MET . 41.7 t -144.21 97.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -99.64 51.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -152.91 -173.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.36 -169.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.86 143.53 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.15 26.9 70.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.494 ' O ' ' CG2' ' A' ' 61' ' ' THR . 2.9 t0 -100.44 173.14 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -125.83 140.12 52.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.15 177.37 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -127.61 133.1 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.64 116.49 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.224 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.88 46.88 3.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -119.47 141.93 48.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 p -68.56 94.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' C ' ' HG2' ' A' ' 43' ' ' MET . 17.8 mt -69.67 -71.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.54 ' SD ' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -133.82 178.08 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.5 t -127.38 135.68 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.472 ' CG ' HD12 ' A' ' 25' ' ' ILE . 19.9 mtp -113.99 166.71 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 11.6 mm -136.14 108.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.4 -71.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -103.58 66.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.11 27.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mtp -125.91 149.17 48.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -92.0 114.31 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -99.96 119.22 37.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -87.65 100.16 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.34 97.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.98 144.48 31.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -64.94 139.83 97.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.83 7.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.86 175.7 12.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.73 148.27 30.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.31 21.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 5.9 m -97.05 107.76 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 59.0 t -43.25 118.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -78.16 -57.39 3.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -154.42 149.93 27.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG1' ' HE3' ' A' ' 43' ' ' MET . 29.7 t -96.65 148.83 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -104.41 -29.21 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -132.49 138.72 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -114.65 -173.73 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -55.01 138.28 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.47 42.03 99.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . 0.505 ' O ' ' CG2' ' A' ' 24' ' ' THR . . . -110.94 161.55 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.87 122.47 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.59 164.14 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.491 ' CB ' HG22 ' A' ' 77' ' ' THR . 0.6 OUTLIER -118.46 169.16 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -66.97 124.49 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.0 m170 71.15 57.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.647 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.491 HG22 ' CB ' ' A' ' 74' ' ' ASN . 47.2 p -127.94 151.89 76.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 125.02 9.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.412 ' CD2' ' HB1' ' A' ' 19' ' ' ALA . 2.4 mt -99.66 -56.08 2.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.21 150.77 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -111.83 147.74 35.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -102.01 154.97 18.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.27 35.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.12 140.55 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 141.9 83.38 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -29.19 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.8 ttm -173.7 170.04 4.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -61.23 130.23 45.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.4 ' N ' ' HE1' ' A' ' 45' ' ' MET . . . -165.83 -162.52 17.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' ILE . 51.1 m -127.94 129.66 47.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 32.2 mm -64.67 100.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 7.6 tp10 -71.76 -58.13 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.13 162.68 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.4 t -141.59 97.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.86 49.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.7 m -145.29 -170.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.31 -169.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.08 138.93 33.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.93 28.86 73.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.42 ' O ' ' CG2' ' A' ' 61' ' ' THR . 4.6 t0 -100.32 171.71 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -126.19 136.36 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.4 172.62 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -126.37 134.59 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.43 123.31 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.88 39.01 8.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -114.27 139.73 49.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -62.92 100.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.69 -67.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.59 176.38 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLU . 95.8 t -123.51 130.57 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.437 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 4.5 mmm -118.33 162.75 17.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' THR . 6.2 mt -139.49 121.05 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.53 -86.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 mtm -94.93 71.47 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.57 45.53 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.0 mtm -141.88 146.48 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.54 122.23 33.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -108.29 140.49 41.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -118.31 96.18 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.88 97.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -78.7 151.35 32.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -61.05 138.43 94.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -27.83 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.99 171.16 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 142.09 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.63 163.95 27.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 3.1 m -104.4 108.38 19.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 69.3 t -43.88 127.26 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -91.0 -54.5 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -151.59 143.62 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.43 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 21.2 t -92.57 156.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 37.8 m-85 -112.37 -28.49 7.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -126.91 155.98 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.35 171.04 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.55 131.76 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.84 51.07 31.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -120.77 165.84 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -112.19 115.26 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.1 163.73 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.485 ' CB ' HG22 ' A' ' 77' ' ' THR . 0.8 OUTLIER -118.21 168.57 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 63.7 mtm180 -68.64 115.53 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.6 m170 81.52 58.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.485 HG22 ' CB ' ' A' ' 74' ' ' ASN . 20.9 p -128.82 153.22 79.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.99 130.78 13.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.66 -48.37 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.09 146.66 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -109.92 117.3 33.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -74.61 155.07 38.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.69 136.8 32.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 74' ' ' ASN . . . -45.76 136.44 6.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -55.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' A' ' 22' ' ' THR . 26.4 ttt -137.36 163.14 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 75' ' ' ARG . 93.4 m -68.92 116.95 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.9 -164.46 14.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.0 m -124.81 136.67 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -68.5 121.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -97.77 -51.35 4.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -129.96 148.0 51.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.3 t -129.83 97.79 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -93.4 48.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -146.36 -178.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -179.56 175.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.1 145.79 37.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.6 26.03 61.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -93.28 173.14 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.348 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -125.97 132.26 52.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.55 163.32 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -128.6 133.43 48.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 58' ' ' LYS . . . -40.18 115.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.2 34.04 5.77 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -112.73 144.48 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -72.16 97.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.5 mt -70.66 -68.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.16 176.16 8.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.2 t -127.07 127.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.439 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 79.1 mtp -110.27 169.17 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -134.4 121.89 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.07 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mtm -100.96 62.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.97 25.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.11 149.07 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.22 117.19 29.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -102.37 132.83 48.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -98.77 100.07 11.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.6 96.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -79.54 136.84 36.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.34 144.93 91.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.37 5.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 1.9 pttt -161.87 173.33 14.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.72 150.03 36.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.19 172.38 39.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.8 m -103.63 101.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 77.5 t -43.44 114.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -71.83 -58.35 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.7 149.0 16.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 6.5 t -87.96 149.41 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 21.2 m-85 -107.22 -32.11 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 73' ' ' ALA . 52.6 m-85 -122.03 152.79 39.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.66 -179.59 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.38 136.08 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.88 33.97 65.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.21 139.49 53.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 0.805 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.64 146.49 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . . . -137.54 157.85 45.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.0 t30 -89.1 169.82 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 1.5 mtm180 -77.76 7.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -147.74 61.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.56 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 p -143.04 148.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.59 13.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 mt -90.67 -47.26 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.87 130.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.515 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.7 tt0 -92.08 119.91 32.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.79 152.7 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.12 27.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -109.58 125.05 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.96 127.82 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.68 20.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.46 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 2.2 ptp -166.94 163.92 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.6 m -75.35 112.53 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.06 -171.51 19.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 16.8 m -116.36 150.7 37.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -80.58 128.28 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 5.6 tp10 -107.03 -44.4 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.22 146.79 43.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.6 t -130.57 97.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -95.28 49.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 27.7 m -148.67 -168.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.18 -169.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.68 142.01 29.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.55 24.01 72.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' CG2' ' A' ' 61' ' ' THR . 3.3 t0 -97.51 171.92 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.766 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.13 134.07 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 m -132.65 178.99 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -132.55 135.97 46.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.14 124.37 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.18 42.05 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.84 147.99 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -72.96 88.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 95.5 mt -67.34 -67.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 176.53 8.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.41 125.01 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.6 mtp -106.16 168.27 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 51' ' ' GLU . 19.9 mm -134.06 127.37 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.42 -95.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.43 ' C ' ' N ' ' A' ' 50' ' ' MET . 14.5 mtt -73.43 72.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' MET . 16.1 mmtt 40.37 29.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 1.5 ttt -138.84 152.62 47.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 1.9 pt-20 -101.83 137.36 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.476 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 2.0 m-70 -124.79 136.38 53.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -84.97 113.71 21.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.74 100.78 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 142.76 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.96 141.99 94.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.13 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -160.26 -173.84 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.21 150.02 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.49 164.64 17.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 2.9 m -98.45 107.74 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 60.7 t -43.31 120.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -81.31 -56.95 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -153.45 149.72 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.432 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 46.3 t -97.92 149.38 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.61 -37.83 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 71.8 m-85 -115.86 147.79 40.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -125.62 -178.3 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.6 135.94 50.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.31 38.65 91.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.22 142.83 44.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -94.15 108.87 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -100.59 162.08 13.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.456 ' CB ' HG23 ' A' ' 77' ' ' THR . 1.6 t30 -117.79 168.11 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 21' ' ' MET . 8.5 ttt180 -70.91 119.72 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.416 ' NE2' ' HG2' ' A' ' 75' ' ' ARG . 5.6 m170 80.83 50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 74' ' ' ASN . 48.5 p -124.84 152.56 69.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.48 6.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.6 mt -93.82 -54.61 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.91 149.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.19 153.15 21.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -107.91 155.07 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 128.46 11.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.37 132.26 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.93 145.11 65.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -30.03 7.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.772 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' THR . 3.9 ttt -178.34 161.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.428 ' N ' ' CG ' ' A' ' 21' ' ' MET . 36.3 m -57.97 109.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.49 -154.43 6.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.7 m -131.92 132.46 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.436 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -73.69 115.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.74 -53.11 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -131.43 154.71 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.57 100.68 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.99 50.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.454 ' CG1' HD21 ' A' ' 42' ' ' LEU . 35.7 m -149.13 -177.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.05 167.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 145.6 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.05 20.35 60.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 22.8 t0 -92.6 168.27 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -123.22 133.18 54.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.95 176.93 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 2.1 mttt -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.84 117.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.0 31.81 14.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.44 147.22 26.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -70.08 87.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.454 HD21 ' CG1' ' A' ' 30' ' ' VAL . 81.5 mt -65.37 -68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.12 176.52 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.54 122.46 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.436 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 70.5 mtp -105.71 169.39 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -140.14 101.52 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -131.42 165.19 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 50.61 24.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt 67.76 17.82 9.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.469 ' O ' ' CE1' ' A' ' 52' ' ' HIS . 16.8 tpp -128.4 145.6 51.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.19 146.12 37.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 50' ' ' MET . 5.5 m-70 -133.99 160.07 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -118.78 107.77 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.8 mm -75.01 98.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -88.35 156.73 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 1.2 t -79.8 136.95 54.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.79 7.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -161.63 169.23 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.99 148.93 29.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.69 165.72 24.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.9 m -87.95 107.8 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.2 t -45.85 108.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -65.52 -59.18 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -163.13 148.52 11.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 4.0 t -95.8 140.05 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 49.1 m-85 -96.86 -26.99 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 79.1 m-85 -119.51 148.93 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -125.75 -173.16 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.51 147.29 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 45.2 56.51 6.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.82 167.83 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -104.67 113.55 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -89.82 163.8 14.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG22 ' A' ' 77' ' ' THR . 5.4 m-20 -117.15 168.44 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp85 -83.27 93.95 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.4 m170 88.7 70.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.47 HG22 ' CB ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -140.12 153.94 69.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.94 106.61 2.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.2 mt -72.3 -51.75 19.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 m -130.06 163.73 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.1 tt0 -124.84 127.19 46.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -83.58 154.15 23.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' ALA . 63.5 mt -100.07 115.44 29.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' LEU . . . -40.28 143.78 0.61 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.14 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -147.57 179.08 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' HG2' ' A' ' 75' ' ' ARG . 7.5 m -84.68 113.03 21.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.61 -165.45 11.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ILE . 40.6 m -120.0 142.97 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.41 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 18.6 mm -75.0 122.18 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -97.99 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -136.22 146.27 46.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.09 99.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.06 50.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.6 m -148.55 -178.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 179.88 174.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 146.23 39.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.75 21.71 58.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -90.46 171.31 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -126.22 133.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -135.4 168.75 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -127.94 135.79 50.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.98 118.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.77 36.9 7.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.49 145.95 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -69.79 87.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.11 -68.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.27 176.32 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.2 t -124.26 133.86 68.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 68.1 mtp -115.79 169.11 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 51' ' ' GLU . 14.7 mm -140.28 107.85 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -108.66 -99.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 50' ' ' MET . 7.1 mtp -66.85 68.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.1 mmtt 39.94 30.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 48' ' ' MET . 1.5 mtt -130.9 158.22 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 5.6 tt0 -97.64 138.32 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -130.4 150.34 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 m -105.53 111.31 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.0 mm -71.6 97.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.85 134.99 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -62.0 142.79 95.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -33.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -163.99 168.94 18.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.13 146.68 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.26 -171.63 44.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.6 m -113.25 103.31 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 75.5 t -42.95 118.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -76.24 -57.4 3.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -162.35 141.34 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.465 HG11 ' CG1' ' A' ' 80' ' ' VAL . 3.9 t -90.31 137.99 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -99.92 -24.3 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.37 144.59 47.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -127.81 -179.25 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.05 129.21 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.25 28.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.06 139.58 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -89.17 111.67 22.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.89 164.49 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.539 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -118.57 169.63 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 22' ' ' THR . 17.4 mtm180 -66.72 124.42 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 66.87 63.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.539 HG21 ' CB ' ' A' ' 74' ' ' ASN . 18.4 p -128.45 152.05 77.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.86 4.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.9 mt -89.94 -51.84 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG1' HG11 ' A' ' 65' ' ' VAL . 2.6 m -133.5 164.33 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 118.26 25.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -77.71 153.05 33.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.446 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 162.9 36.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.3 mt -122.76 127.18 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.01 136.57 8.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.809 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.403 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER 178.61 159.88 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m -57.93 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.11 -170.62 16.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.6 m -122.91 136.52 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' A' ' 28' ' ' VAL . 27.9 mm -72.04 104.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.9 tp10 -74.36 -43.09 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.77 164.11 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.535 ' CG2' ' SD ' ' A' ' 43' ' ' MET . 44.8 t -144.54 96.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.88 50.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.3 m -151.22 -176.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.58 -167.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.3 142.37 27.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.21 20.76 69.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER -95.33 161.6 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 142.91 46.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.64 159.99 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -108.09 134.45 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.12 113.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.41 44.41 2.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.54 143.72 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -71.19 84.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' C ' ' HG2' ' A' ' 43' ' ' MET . 61.7 mt -57.88 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' MET . . . . . 0.535 ' SD ' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.39 178.23 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 92.6 t -125.79 132.87 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.429 ' CG ' HD13 ' A' ' 25' ' ' ILE . 4.2 mtp -112.31 164.89 12.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 10.4 mm -136.56 111.74 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.28 -73.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mtp -96.59 62.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 45.51 26.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 mmm -125.48 151.09 46.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -86.37 121.36 28.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -107.84 117.43 34.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.623 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -90.48 98.54 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.06 94.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -80.16 139.53 36.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.79 140.61 85.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.03 14.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -164.91 -179.85 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -86.92 139.45 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.29 165.15 31.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 49.3 m -97.44 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.6 t -44.48 119.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -73.4 -56.72 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -152.96 168.51 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.89 134.51 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 47.1 m-85 -116.88 25.58 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 56.2 m-85 -158.27 141.18 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.54 -174.24 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -59.58 126.11 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.15 41.68 38.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.44 138.46 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.35 121.09 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.565 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . . . -118.96 163.09 17.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . 0.465 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.4 OUTLIER -118.36 168.04 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp180 -70.57 120.03 15.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER 81.14 51.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.465 HG21 ' CB ' ' A' ' 74' ' ' ASN . 45.6 p -125.96 145.0 50.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.97 108.51 2.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.435 1.755 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.54 -45.1 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.446 HG23 ' CD ' ' A' ' 17' ' ' PRO . 4.5 m -137.93 167.55 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -123.84 155.3 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -112.55 151.95 29.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.757 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.2 155.92 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.06 139.18 91.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -28.22 9.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.77 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 10.5 ttm -169.68 153.27 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 m -57.95 105.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.84 -169.36 17.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' ILE . 94.1 m -118.62 146.52 44.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 110.445 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.416 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 15.5 mm -73.39 122.99 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -99.5 -51.02 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.41 148.94 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.5 t -130.05 100.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -99.22 50.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG21 ' CG1' ' A' ' 80' ' ' VAL . 31.3 m -149.13 -175.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -175.66 -166.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.14 148.75 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 61.5 21.14 59.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' OD1' ' CE ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -95.81 168.03 10.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -126.01 127.82 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.02 158.49 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.08 135.25 50.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.77 113.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.49 46.05 2.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.99 141.25 48.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -67.63 91.15 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 67.6 mt -63.71 -71.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -140.34 176.43 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.8 t -125.83 132.58 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 75.3 mtp -114.78 168.81 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.6 mm -134.52 122.02 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.84 -73.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -103.05 63.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 47.05 28.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -127.22 147.11 50.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -90.26 114.92 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -98.98 120.43 39.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -90.29 100.41 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -71.59 99.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -82.06 137.62 35.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.37 143.19 74.65 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.69 5.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 -173.62 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.32 137.81 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.53 -176.67 48.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.3 m -108.19 123.14 48.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 95.5 t -68.9 109.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -67.98 -46.0 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.4 177.95 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 t -115.71 172.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 39.8 m-85 -122.32 -38.68 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 73' ' ' ALA . 54.3 m-85 -127.16 153.46 46.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -122.95 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -54.07 146.51 14.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.43 44.82 77.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.06 155.7 35.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -110.38 136.54 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.52 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . . . -142.42 127.93 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.34 158.53 34.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 21' ' ' MET . 20.5 ttp-105 -69.87 60.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . 0.618 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -174.13 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.633 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.4 p -59.09 150.73 60.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 152.76 41.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mt -106.03 -53.87 2.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.99 140.72 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.1 tt0 -96.37 124.41 40.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.97 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 130.91 13.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.58 117.76 28.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.55 148.44 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.78 6.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.418 ' CG ' ' N ' ' A' ' 22' ' ' THR . 11.3 ttp -179.18 156.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.418 ' N ' ' CG ' ' A' ' 21' ' ' MET . 58.6 m -58.0 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -136.51 -156.85 7.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -124.1 131.85 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 11.5 mm -71.72 113.75 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.24 -53.07 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -131.62 157.07 44.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.0 t -137.86 98.39 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.54 51.27 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 30.9 m -150.4 -175.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.99 -165.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -99.08 143.38 29.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.52 26.48 69.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.7 157.39 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 132.41 56.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.94 162.32 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 133.94 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.49 113.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.87 42.59 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.99 144.48 38.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -71.1 83.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 62.9 mt -54.28 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.96 176.41 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.3 t -126.0 132.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' MET . . . . . 0.467 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 85.7 mtp -117.17 166.04 12.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.0 mm -139.09 106.94 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB2' ' NE2' ' A' ' 52' ' ' HIS . . . -92.66 -98.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.438 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -93.83 87.12 5.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 29.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mmt -128.52 150.82 50.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -105.36 139.45 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' HIS . . . . . 0.41 ' NE2' ' HB2' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -132.74 133.53 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.565 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -99.75 101.47 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.11 95.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.77 151.16 28.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 140.52 96.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -31.06 6.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -161.39 172.74 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.52 120.74 23.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.95 169.36 37.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 m -104.27 104.51 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.0 t -44.89 116.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -74.19 -56.37 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -157.79 147.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 11.7 t -95.9 145.85 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -106.25 -25.98 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 79' ' ' LEU . 51.9 m-85 -118.85 152.02 37.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -131.74 -177.28 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -53.9 144.66 18.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.23 53.42 27.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -121.32 159.07 26.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -95.3 111.21 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -85.79 164.3 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.18 168.95 9.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.45 99.6 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 73.81 75.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . 0.421 ' OG1' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -139.59 153.76 70.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.08 95.2 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 5.6 mt -71.67 -59.03 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.6 148.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.34 142.4 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -102.31 153.72 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -154.83 153.21 30.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.74 105.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.63 174.17 49.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.434 1.084 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.8 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 68.65 158.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.2 75.94 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -164.12 158.87 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -98.73 -38.77 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 m -144.91 -81.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -150.83 103.85 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -46.45 -52.09 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -139.73 166.28 25.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.443 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -174.77 125.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.346 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.24 84.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.32 145.45 4.74 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 174.8 12.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 56.1 mt -134.33 126.37 29.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.72 148.78 2.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.51 176.3 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -65.61 109.0 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.81 -168.11 13.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 96.6 m -127.07 134.57 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.421 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.472 HD12 ' CG ' ' A' ' 45' ' ' MET . 32.6 mm -68.16 115.29 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.44 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 22.4 tp10 -88.49 -49.37 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -132.35 160.64 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.9 t -141.48 104.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.51 50.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.433 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.8 m -149.39 -175.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.476 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.25 166.06 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.74 148.86 48.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.13 27.37 59.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.476 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 25.6 t0 -98.05 173.05 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -126.05 127.85 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -127.08 174.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.2 mttm -132.57 133.56 43.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.13 120.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.44 39.07 7.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.72 148.82 32.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.5 OUTLIER -73.35 96.46 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.433 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 90.7 mt -73.02 -67.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.468 ' HE3' ' CG1' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -140.38 176.15 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -124.85 132.67 71.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.472 ' CG ' HD12 ' A' ' 25' ' ' ILE . 5.8 mtp -113.96 165.18 12.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.44 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 12.3 mm -137.72 109.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.57 -79.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.55 54.63 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttm 49.99 23.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.8 ttp -123.44 149.84 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -84.21 116.1 22.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -106.71 100.82 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.441 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 81.5 m -74.23 101.56 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.4 mp -70.95 96.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 145.98 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -70.24 139.55 87.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 18.4 Cg_endo -75.0 -30.65 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -154.08 -176.37 5.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.93 153.84 18.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.92 172.16 32.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 77.6 m -93.21 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 110.401 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 53.9 t -44.11 118.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -75.7 -52.84 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.34 146.45 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.468 ' CG1' ' HE3' ' A' ' 43' ' ' MET . 2.4 t -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 49.6 m-85 -106.57 25.18 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 28.8 m-85 -157.52 149.39 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -140.51 -176.05 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.89 129.55 42.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.52 32.39 51.21 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -100.49 152.43 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -110.2 115.81 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.54 164.21 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG22 ' A' ' 77' ' ' THR . 1.5 t30 -117.62 168.03 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 117.97 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.5 m170 71.7 64.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.47 HG22 ' CB ' ' A' ' 74' ' ' ASN . 23.5 p -130.54 153.79 81.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.31 7.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.92 -48.3 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -139.12 152.65 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.06 131.24 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.78 153.28 23.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.1 154.18 41.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -46.61 128.16 10.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.59 136.74 42.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -131.04 149.24 52.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 49.88 89.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 177.71 97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.9 116.36 31.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 164.76 12.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.98 159.36 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.36 164.51 34.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -149.9 141.0 23.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.5 p -130.06 163.33 26.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.88 166.19 30.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.19 42.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.0 p -121.52 151.41 40.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.82 -58.48 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -174.83 87.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.803 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.79 -62.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.87 -119.36 6.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -81.07 124.25 29.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -114.99 -56.36 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.31 101.82 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.45 146.87 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -170.31 -58.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.968 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t 65.34 82.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -116.1 156.3 26.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.37 136.58 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -142.0 137.66 31.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -154.45 58.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.31 93.01 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.97 173.05 48.17 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 168.0 25.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -126.6 127.41 45.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.64 145.18 6.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.84 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.7 167.72 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -73.87 105.15 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.24 -155.62 6.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.3 m -127.23 145.93 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.423 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 8.5 mm -75.67 120.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -96.01 -48.42 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -136.0 156.47 48.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.7 t -137.47 100.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -100.21 50.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.461 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 29.2 m -149.69 -174.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.83 -165.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.24 145.36 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.11 25.7 66.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -100.38 158.6 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 132.65 56.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.37 161.9 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 134.17 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.55 114.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.91 3.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.06 143.19 42.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 p -68.74 91.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.461 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 33.8 mt -62.67 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.31 176.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -126.6 129.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.423 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 72.2 mtp -111.96 169.28 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mm -135.38 121.96 33.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -122.23 -72.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' MET . 4.0 mtt -109.13 74.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.39 31.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.401 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.9 mmt -131.42 148.3 52.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -95.23 120.37 35.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.7 m-70 -102.41 128.14 49.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.596 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -97.22 98.87 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.3 mp -70.99 94.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -79.99 136.73 36.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.06 141.48 76.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.45 10.97 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -165.8 173.41 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.97 128.57 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.93 161.56 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.3 m -96.79 103.73 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 62.6 t -44.24 119.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -79.24 -56.04 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.14 143.22 16.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.419 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 10.6 t -92.19 150.52 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -108.72 -29.63 8.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -118.68 143.54 46.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -123.08 -175.3 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.18 136.42 52.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.26 49.31 71.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.402 ' HB1' ' CG1' ' A' ' 25' ' ' ILE . . . -118.4 149.62 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -98.21 112.45 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.83 164.08 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' CB ' HG22 ' A' ' 77' ' ' THR . 3.3 m-80 -114.12 167.7 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 24.7 ttp180 -70.5 112.18 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.6 m170 80.86 60.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.465 HG22 ' CB ' ' A' ' 74' ' ' ASN . 8.1 p -127.63 152.85 77.39 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 51.6 mt -81.13 -52.21 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.3 m -130.24 161.08 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.97 128.97 53.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -83.5 155.04 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.99 170.0 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.21 99.0 2.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -177.48 4.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.11 172.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.68 -57.43 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -117.69 91.95 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.83 175.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.1 169.75 13.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -41.24 -56.32 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.29 170.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.98 76.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -123.09 167.19 13.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.78 157.24 22.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.24 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.0 m 64.79 133.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.1 t -171.28 78.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -127.89 170.23 13.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.746 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -111.46 169.33 8.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.68 107.77 0.45 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.84 164.94 24.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.051 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.69 158.92 22.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.85 118.66 13.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.7 t -83.89 114.93 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -161.31 162.77 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m 61.14 162.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.946 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -52.1 -61.27 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 62.07 141.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.2 m -145.82 131.55 18.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.363 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -155.53 130.14 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -136.62 78.35 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.28 -176.9 20.6 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.1 35.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 86.9 mt -123.56 141.55 51.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' CB ' HD22 ' A' ' 79' ' ' LEU . . . -53.69 138.83 51.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -36.22 2.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.448 1.762 . . . . 0.0 111.019 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.5 ttt -161.66 172.6 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.0 m -70.52 123.3 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.1 -157.35 9.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' SD ' ' A' ' 45' ' ' MET . 60.0 m -133.04 129.66 38.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 HD12 ' CG ' ' A' ' 45' ' ' MET . 14.3 mm -63.65 101.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.5 tp10 -67.15 -52.11 45.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 172.65 12.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 47.3 t -149.22 100.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -98.93 51.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.5 m -149.4 -173.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.28 -164.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -102.13 143.15 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.74 25.79 70.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.502 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.4 OUTLIER -98.47 169.89 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 129.8 49.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.41 174.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.15 135.97 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.38 122.97 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 45.14 6.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -121.63 137.55 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -62.51 103.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 83.1 mt -79.89 -67.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.27 176.19 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.2 t -124.73 137.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.467 ' CG ' HD12 ' A' ' 25' ' ' ILE . 7.9 mmm -122.81 162.07 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.85 113.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.37 -69.19 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.426 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -113.17 76.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.06 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -130.96 146.95 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.25 123.88 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -110.4 109.64 20.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.603 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 m -83.33 97.39 8.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.39 94.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -81.04 143.99 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.81 137.79 86.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.98 13.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -165.08 178.87 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.48 152.16 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.93 172.17 32.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 2.6 m -114.4 106.56 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.3 t -43.32 122.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -85.54 -56.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -149.46 141.87 24.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 43.9 t -93.17 163.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 61.0 m-85 -120.41 -37.23 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 42.3 m-85 -125.1 138.77 54.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.88 -169.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 131.78 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.59 30.99 61.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.55 152.69 20.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -105.81 113.01 26.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.52 162.5 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.48 ' CB ' HG22 ' A' ' 77' ' ' THR . 1.0 OUTLIER -118.15 168.42 10.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -69.13 121.25 16.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 7.5 m170 78.84 51.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.48 HG22 ' CB ' ' A' ' 74' ' ' ASN . 72.8 p -126.92 156.24 74.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 129.66 12.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.42 HD22 ' CB ' ' A' ' 19' ' ' ALA . 10.3 mt -100.6 -54.08 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.3 m -140.94 148.8 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.82 139.29 41.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -96.72 153.75 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.17 165.53 24.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.06 101.07 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -48.82 172.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -127.3 -47.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.25 151.26 38.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -111.86 -12.27 13.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt 57.3 166.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -90.2 128.76 36.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.38 144.45 30.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.73 156.67 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -179.49 154.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 m -94.65 168.81 10.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.71 149.87 18.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.64 2.01 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 t -122.6 161.87 22.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 p -42.25 162.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -156.2 168.22 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.2 158.79 16.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.04 -172.93 20.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 60.38 163.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.949 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -149.59 136.36 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 -153.2 52.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.1 m -117.65 96.37 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.327 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -178.66 135.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.58 140.77 56.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.59 98.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -139.4 114.52 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -54.44 146.93 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -177.0 124.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.47 -46.3 0.52 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.04 -174.66 19.31 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 139.39 24.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -103.45 136.02 43.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.86 147.29 43.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ptp -148.87 -179.53 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.3 m -73.87 121.32 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.0 -156.57 8.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -133.0 146.33 51.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.435 HG23 ' CG2' ' A' ' 28' ' ' VAL . 10.5 mm -77.34 118.05 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -93.13 -47.89 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -134.61 150.52 50.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.435 ' CG2' HG23 ' A' ' 25' ' ' ILE . 20.8 t -134.47 93.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -90.31 46.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.9 m -146.95 -176.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.478 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.0 166.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.76 145.32 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.75 31.61 72.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.478 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 17.5 t0 -103.26 173.87 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -124.01 131.56 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.1 m -138.68 170.32 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -134.05 137.41 44.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' CB ' ' HA ' ' A' ' 58' ' ' LYS . . . -39.87 124.77 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.59 -42.36 1.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.7 142.83 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -76.65 100.83 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.469 ' CD2' ' HB2' ' A' ' 56' ' ' SER . 81.5 mt -64.15 -68.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.96 176.34 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.0 t -127.67 131.67 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.435 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 74.1 mtp -112.63 169.12 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.443 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 17.1 mm -132.19 100.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.515 ' HB2' ' CD2' ' A' ' 52' ' ' HIS . . . -131.77 170.72 14.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.5 26.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 59.21 38.79 23.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.5 mmt -146.41 164.58 31.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.443 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -87.35 139.6 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.515 ' CD2' ' HB2' ' A' ' 47' ' ' ALA . 5.0 m-70 -133.98 144.62 48.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.4 m -117.8 100.83 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.97 101.6 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -81.21 147.04 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.469 ' HB2' ' CD2' ' A' ' 42' ' ' LEU . 44.7 t -65.14 141.24 98.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.4 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -164.39 161.43 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.61 144.59 56.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.41 162.75 25.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.0 m -95.75 103.82 15.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 42.0 t -42.93 119.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.382 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -79.91 -53.25 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -157.11 146.15 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 HG11 ' CG1' ' A' ' 80' ' ' VAL . 2.6 t -93.74 149.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.405 ' CE1' ' NZ ' ' A' ' 64' ' ' LYS . 73.9 m-85 -105.61 -28.39 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -135.26 140.07 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.413 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 2.7 mtt180 -120.23 179.93 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.26 130.29 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.05 -21.98 31.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.413 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -62.02 153.18 30.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -115.32 114.95 25.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.84 164.05 13.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.508 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.9 OUTLIER -118.73 168.85 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.06 117.9 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 m170 68.69 71.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.508 HG21 ' CB ' ' A' ' 74' ' ' ASN . 18.1 p -137.35 155.72 75.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.1 mt -91.1 -56.27 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.447 ' CG1' HG11 ' A' ' 65' ' ' VAL . 4.1 m -137.46 158.0 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -115.06 149.32 37.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -106.44 154.96 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.84 164.64 25.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.17 104.67 6.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.77 132.77 34.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.36 153.96 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -157.53 79.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -70.03 97.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.32 152.79 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.54 99.85 3.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -119.46 171.15 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.55 94.92 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.39 147.27 48.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.354 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.0 p -105.79 162.38 13.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.057 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.74 157.27 15.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.39 29.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.59 -62.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.61 168.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p 50.32 82.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.55 139.81 51.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.0 -66.36 1.08 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.27 152.75 21.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -122.73 89.66 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.08 68.1 1.77 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -139.72 110.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.5 t -119.73 -57.01 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 -58.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 53.83 89.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 13' ' ' THR . 7.3 pt-20 -118.76 -44.56 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.448 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 99.2 m -121.8 142.98 49.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -161.78 159.77 27.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 175.25 -89.76 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.58 -145.22 15.86 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 145.2 31.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -106.65 130.6 54.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -48.93 145.43 6.43 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.96 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.76 -178.16 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.2 m -82.24 105.92 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -143.13 -165.73 10.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 37.1 m -120.61 142.78 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 110.405 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 14.7 mm -72.47 116.62 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.54 -49.0 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.1 154.13 51.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 48.2 t -135.33 102.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -100.18 51.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.4 m -152.18 -177.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.96 -178.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.06 144.52 29.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.87 24.62 64.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.8 t0 -93.31 172.19 8.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.0 mmtp -126.37 129.66 49.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.19 170.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -129.42 135.85 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.01 120.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.11 47.67 5.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -121.66 139.56 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -66.28 97.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.7 mt -73.1 -65.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -139.92 176.25 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.2 t -126.78 132.07 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.421 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 70.9 mtp -115.49 169.15 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.7 mm -136.41 113.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.17 -72.16 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmm -99.9 60.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt 47.59 25.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -125.42 146.86 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -85.88 119.86 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -104.07 129.01 51.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 m -98.19 100.33 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.63 95.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -80.17 142.99 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -65.89 139.75 96.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -26.58 10.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -164.33 165.12 22.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.56 142.96 40.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.66 175.34 46.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 97.4 m -102.84 100.23 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.747 . . . . 0.0 110.423 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 90.2 t -42.82 111.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.76 -59.45 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.06 144.2 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 14.7 t -92.09 148.61 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.47 -27.63 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -119.91 148.48 43.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -131.19 179.25 6.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -53.35 135.99 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.8 80.46 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -119.89 150.09 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.35 112.24 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.66 164.04 11.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG22 ' A' ' 77' ' ' THR . 0.8 OUTLIER -112.11 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -66.35 111.73 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.72 67.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.47 HG22 ' CB ' ' A' ' 74' ' ' ASN . 2.2 p -127.31 155.59 76.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.0 mt -91.66 -53.24 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.9 m -129.31 150.73 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -117.11 123.6 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.2 153.27 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.01 157.52 38.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 38.49 81.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 154.46 41.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 71.22 147.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.6 m -54.37 155.66 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.41 91.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.41 150.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -79.77 151.1 30.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -74.73 103.18 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.1 m -73.74 91.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.31 147.83 44.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.2 m -59.3 159.56 7.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.1 -151.49 12.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.437 1.756 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.1 t -111.17 172.63 6.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.81 -91.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.538 1.148 . . . . 0.0 110.98 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -157.9 132.57 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -90.46 136.35 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.54 -170.57 35.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.67 124.23 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.73 124.25 7.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.75 116.77 1.95 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.16 53.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -139.08 146.25 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.1 p -156.93 108.55 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.87 152.71 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -89.25 84.72 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -106.36 142.35 36.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.03 60.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -119.35 -68.57 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.56 -167.75 23.62 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 152.29 40.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.8 mt -110.36 137.73 47.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -54.75 152.02 13.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.62 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.456 1.766 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.5 ttt -159.34 168.41 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 m -57.81 110.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.16 -163.01 11.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -125.37 147.52 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.456 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 9.4 mm -77.16 122.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -95.65 -50.43 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -135.48 152.87 51.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 54.2 t -136.37 103.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.67 50.77 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.453 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 35.3 m -151.25 -174.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.451 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.57 174.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.24 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.29 68.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.451 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 43.6 t0 -94.83 173.48 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.7 130.96 52.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.1 163.9 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 38' ' ' ALA . 7.5 mttt -123.92 133.69 53.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.18 113.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.08 39.47 4.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.85 145.07 40.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.504 ' N ' ' HZ3' ' A' ' 55' ' ' LYS . 3.3 p -74.85 83.81 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.453 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 22.0 mt -56.96 -67.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.78 176.17 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.24 129.34 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.456 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 62.9 mtp -112.92 168.98 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -130.34 100.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.414 ' H ' ' CD2' ' A' ' 52' ' ' HIS . . . -132.82 168.87 17.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 45.8 24.23 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.39 34.03 18.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.4 mmm -142.13 169.76 16.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.67 138.54 32.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 47' ' ' ALA . 2.9 m-70 -134.15 148.08 50.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 m -117.93 104.45 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -74.2 96.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.504 ' HZ3' ' N ' ' A' ' 41' ' ' SER . 2.8 mmtt -79.38 149.68 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.2 137.52 91.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.23 11.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -165.61 166.07 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.44 143.65 34.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -180.0 -169.19 39.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 99.8 m -115.22 100.57 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.399 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.9 t -44.25 100.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.7 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.26 146.32 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 19.4 t -95.58 144.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.61 -31.26 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.3 140.9 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -121.31 -174.32 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.52 137.83 52.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.9 47.03 92.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.82 146.03 43.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.21 113.19 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.41 ' HB1' ' CE ' ' A' ' 45' ' ' MET . . . -103.84 164.41 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.466 ' CB ' HG22 ' A' ' 77' ' ' THR . 1.2 m120 -117.94 168.6 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 116.94 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 66.93 70.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.554 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.466 HG22 ' CB ' ' A' ' 74' ' ' ASN . 1.9 p -128.73 153.39 79.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.57 2.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 81.0 mt -83.15 -59.68 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 15.5 m -124.29 160.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.63 121.42 35.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.72 153.55 32.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.05 165.03 21.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.02 131.22 45.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.42 153.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -139.36 -52.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.74 95.47 4.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -115.86 94.77 4.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 76.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.45 ' HB2' ' CZ ' ' A' ' 90' ' ' ARG . 3.3 mtm105 -42.92 132.46 3.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.248 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.68 149.89 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -115.87 132.57 56.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -140.37 126.12 19.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -124.74 161.48 26.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 146.05 86.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.4 11.28 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.6 p -175.0 132.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.6 m -133.02 162.98 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -133.38 169.33 17.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 p -133.41 153.91 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.79 -96.51 0.28 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.15 -74.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 m -67.94 155.6 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.02 -92.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.1 t -137.9 100.67 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -123.58 125.17 44.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.4 p 48.37 83.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -120.2 88.46 2.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -171.89 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.235 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -150.41 158.97 44.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.68 159.14 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.41 -66.02 0.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.42 -173.47 44.62 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.38 38.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -120.88 136.7 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -55.42 144.03 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -45.15 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -154.6 160.24 41.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 90.8 m -61.62 106.71 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.27 -162.1 8.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ILE . 56.5 m -124.38 138.03 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.45 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 11.2 mm -69.1 126.07 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.2 -50.23 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -136.52 145.48 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 29.0 t -126.69 96.2 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.452 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 29.4 m-85 -95.7 49.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.0 m -147.21 -171.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 178.06 -169.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.5 139.45 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.05 27.58 73.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -100.27 173.27 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -125.16 134.58 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.08 168.12 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 4.1 mmtp -125.26 134.23 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.25 115.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.67 4.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.74 148.4 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.6 OUTLIER -73.91 88.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.47 -69.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.08 176.31 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.2 t -125.15 136.48 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.45 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 79.9 mtp -121.4 167.21 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.43 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.1 mm -139.35 111.87 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.89 -87.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.431 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -106.27 88.21 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? 41.88 28.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' MET . 13.5 tpp -130.68 146.23 52.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -101.19 139.1 37.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -125.91 151.42 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.631 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . 0.476 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 22.8 m -119.1 103.68 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.9 mp -70.88 95.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -81.34 127.69 33.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -47.59 139.98 8.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.38 8.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -163.96 175.41 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.65 152.81 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.7 167.14 23.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 6.2 m -106.34 105.91 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.371 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 67.3 t -43.79 124.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -84.76 -51.81 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -162.27 141.4 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 21.7 t -91.19 157.32 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -115.18 -28.93 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -120.43 143.57 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -122.14 -169.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.65 141.41 58.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.46 47.73 88.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.576 1.172 . . . . 0.0 111.054 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.57 151.63 35.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -98.62 110.75 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.37 164.18 11.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.463 ' HB3' ' CG2' ' A' ' 77' ' ' THR . 0.7 OUTLIER -116.49 168.14 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 119.9 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m170 68.38 63.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.463 ' CG2' ' HB3' ' A' ' 74' ' ' ASN . 12.4 p -124.81 154.57 70.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 110.22 3.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.449 1.762 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 57.4 mt -85.99 -61.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 7.6 m -124.34 157.26 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -116.54 134.86 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -88.78 155.07 19.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.65 168.38 18.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -102.86 81.34 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -115.07 160.26 19.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -150.27 150.24 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.35 121.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 53.96 94.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -86.7 106.14 17.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -159.61 143.95 14.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -171.65 87.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.0 151.02 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -153.21 148.9 27.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.4 p -157.87 160.13 37.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.68 151.01 19.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.165 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.02 27.35 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.5 1.789 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.7 t -110.25 -60.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.047 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 p 54.54 169.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p 55.56 167.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.767 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -155.3 -59.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.83 171.75 15.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.37 170.12 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.15 134.4 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.42 -170.34 12.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -90.65 171.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 t -177.39 162.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -123.16 166.31 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.57 108.78 13.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -168.74 143.03 3.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.4 m -132.0 -70.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.76 146.89 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.53 70.11 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.34 155.86 10.95 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 161.46 38.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 34.8 mt -120.23 125.09 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 141.84 2.15 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.7 ttt -145.27 170.61 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.6 m -58.89 127.66 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.37 176.82 43.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 31.2 m -113.72 145.75 40.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.362 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 16.7 mm -77.39 116.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -93.39 -48.71 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.45 150.81 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 43' ' ' MET . 52.6 t -132.23 102.77 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 25.1 m-85 -97.95 50.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.449 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 27.0 m -145.52 -175.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.57 166.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.15 143.7 48.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.42 24.81 66.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 15.1 t0 -93.55 169.95 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -126.14 131.73 51.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.62 156.48 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.94 135.81 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.68 112.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.8 31.68 6.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.96 150.27 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.49 99.43 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.449 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 54.2 mt -71.67 -68.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.457 ' HG2' ' CG2' ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.22 176.28 8.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.1 t -126.16 123.41 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.439 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 76.3 mtp -106.48 168.61 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 25.1 mm -129.84 99.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.25 166.22 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.2 mmt 51.73 20.23 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.71 17.65 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -127.63 -179.36 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -112.59 138.95 48.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.09 159.75 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -121.15 106.98 12.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.28 117.44 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -91.86 155.61 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.3 t -73.56 141.31 79.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -28.61 8.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -166.78 169.91 12.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.53 145.48 36.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.43 174.09 40.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 82.0 m -99.73 108.4 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.416 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.1 t -48.49 101.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -58.66 -62.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -158.76 145.5 17.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.415 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 42.3 t -91.42 140.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -100.46 -38.08 8.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -105.62 148.15 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -132.29 178.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.14 129.2 39.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.47 27.71 46.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.56 145.83 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -104.59 110.69 23.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -103.08 164.33 11.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.499 ' CB ' HG22 ' A' ' 77' ' ' THR . 0.8 OUTLIER -114.37 168.7 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -64.87 112.44 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 79.24 65.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.549 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.499 HG22 ' CB ' ' A' ' 74' ' ' ASN . 16.6 p -132.43 154.85 81.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.14 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 mt -98.31 -57.54 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 4.0 m -126.04 152.86 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -110.47 157.07 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.8 152.3 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -69.38 163.9 24.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.96 147.79 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.17 172.94 12.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -129.73 133.19 46.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.82 108.48 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.11 84.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -104.96 -9.1 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.89 91.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.44 143.45 56.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.79 93.14 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.89 161.46 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -92.17 -64.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 126.67 96.12 0.96 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 106.61 2.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.441 1.759 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.5 153.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.5 114.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.86 101.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -168.51 139.03 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.99 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.27 -98.42 2.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -110.79 101.9 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.83 81.35 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.99 163.73 12.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 m -67.17 -33.89 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -177.68 111.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.957 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.24 134.75 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -127.21 134.62 50.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.2 tt0 -62.92 135.77 57.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m 65.94 -73.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -38.74 121.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.47 86.77 0.06 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.64 -150.42 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.11 42.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.7 mt -116.07 130.36 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.84 148.15 14.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ttt -151.41 163.56 38.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 75' ' ' ARG . 53.5 m -63.67 111.3 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.92 -156.89 7.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 16.2 m -132.25 140.06 48.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.415 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.441 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 10.3 mm -72.02 128.29 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.15 -47.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -134.8 143.38 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.428 ' CG2' HG22 ' A' ' 25' ' ' ILE . 65.5 t -130.51 102.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' LEU . 32.6 m-85 -98.55 47.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 18.0 m -147.91 -171.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 175.13 -175.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.21 143.71 27.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.21 30.83 77.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.446 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 38.7 t0 -103.16 171.74 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.11 139.06 54.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.27 171.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.33 134.97 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.24 118.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.56 36.09 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.76 150.58 26.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -79.76 96.95 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 41.0 mt -70.37 -69.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -139.88 176.07 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 77.8 t -127.96 122.16 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.441 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 76.2 mtp -101.73 167.81 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.426 ' CD1' ' CB ' ' A' ' 51' ' ' GLU . 34.2 mm -127.5 99.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.5 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 mtt 50.26 26.88 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 24.63 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.483 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 2.9 ttt -143.17 150.57 39.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.426 ' CB ' ' CD1' ' A' ' 46' ' ' ILE . 1.0 OUTLIER -91.78 147.54 22.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.483 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 9.5 m-70 -134.05 160.09 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -112.11 103.28 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.422 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.9 105.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -78.98 148.65 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.439 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -62.98 141.99 97.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.98 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.26 -176.36 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.37 156.76 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.91 -162.08 29.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 8.8 m -120.91 133.57 55.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.383 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.4 t -77.06 103.09 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -61.09 -54.11 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HE3' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -152.74 178.29 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.4 ' N ' ' HE3' ' A' ' 64' ' ' LYS . 13.4 t -123.05 171.48 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 81.2 m-85 -122.95 -38.68 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -126.69 138.47 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 8.2 mtt-85 -113.46 -173.43 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -49.62 149.05 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.91 49.61 9.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.454 ' CB ' ' O ' ' A' ' 68' ' ' ARG . . . -111.13 162.64 14.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -109.86 115.8 30.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.75 164.0 13.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.487 ' CB ' HG23 ' A' ' 77' ' ' THR . 0.9 OUTLIER -118.18 168.45 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 22' ' ' THR . 3.2 ttp180 -63.61 114.69 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.45 68.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.487 HG23 ' CB ' ' A' ' 74' ' ' ASN . 10.9 p -132.5 154.2 81.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 118.08 5.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 8.4 mt -90.22 -57.63 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.463 ' CG1' HG22 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -125.26 142.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.574 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.2 tt0 -101.18 117.71 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.73 155.27 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.43 169.26 17.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.42 109.2 5.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -120.88 171.93 8.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.76 -177.68 5.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 t -162.51 126.31 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -128.25 85.37 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.57 113.58 27.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -78.64 134.93 37.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.75 128.11 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -177.9 115.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -143.76 115.58 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -165.51 151.59 9.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.26 66.89 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.79 28.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.7 m -156.52 123.74 5.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.058 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.1 t -177.06 163.98 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.87 163.87 21.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.16 -58.71 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.68 -147.99 5.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 p -125.96 -59.02 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -59.51 163.24 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.0 -155.47 21.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -86.92 169.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.61 -60.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -172.17 108.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.99 93.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.02 74.83 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 t -169.01 151.45 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -166.96 136.15 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.54 -82.05 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.4 -147.1 4.73 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.14 18.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.559 1.82 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.407 ' CD2' ' O ' ' A' ' 76' ' ' HIS . 29.1 mt -86.1 153.67 21.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -64.99 142.23 98.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -33.07 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.426 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 1.5 ttt -174.46 157.27 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.4 m -57.87 105.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.0 -164.73 11.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 55.2 m -124.01 142.33 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.449 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.419 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 13.2 mm -75.62 121.93 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.0 tp10 -100.46 -51.92 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.34 147.11 52.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.8 t -131.3 100.24 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.326 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -97.64 49.43 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.2 m -147.64 -172.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.482 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.52 166.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 142.31 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.7 33.53 85.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.493 ' O ' ' CG2' ' A' ' 61' ' ' THR . 19.8 t0 -101.99 173.28 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.41 136.0 52.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.72 158.18 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.96 137.41 47.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.24 113.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.68 45.8 3.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.49 147.57 37.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -74.18 91.92 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 47.2 mt -64.78 -69.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -140.03 176.18 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.4 t -126.12 128.06 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.419 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 43.7 mtp -109.43 169.29 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -139.85 126.21 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.415 ' HB1' ' NE2' ' A' ' 52' ' ' HIS . . . -128.38 -82.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ptp -88.33 68.26 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mttm 42.74 33.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.15 150.51 51.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -95.89 123.72 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.415 ' NE2' ' HB1' ' A' ' 47' ' ' ALA . 7.4 m-70 -103.51 152.62 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -120.59 99.53 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 79' ' ' LEU . 2.1 mp -71.25 99.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -82.01 139.72 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.5 138.08 96.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 173.52 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.83 123.73 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.35 177.1 36.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.493 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 16.7 m -113.48 105.99 14.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.9 t -43.69 115.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -75.47 -56.4 4.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -155.31 146.42 22.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 42.6 t -93.67 146.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -104.8 -39.69 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE1' ' HB2' ' A' ' 73' ' ' ALA . 53.8 m-85 -113.6 141.69 46.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mmt85 -112.74 -174.68 2.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.0 147.32 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 52.03 40.48 51.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.24 144.18 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -100.54 126.21 46.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.428 ' HB2' ' CE1' ' A' ' 67' ' ' TYR . . . -131.71 160.24 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -100.32 167.71 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 49.7 ttt180 -78.06 147.79 34.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.555 ' CG ' ' O ' ' A' ' 75' ' ' ARG . 6.2 m80 90.68 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.3 p -57.49 148.28 55.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 54' ' ' ILE . 43.2 mt -69.12 -55.44 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.11 159.29 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -112.61 120.68 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -77.92 155.12 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -69.77 162.7 27.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.32 82.25 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.77 160.79 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -142.79 153.47 43.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m 56.39 104.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.67 94.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.3 95.35 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 145.39 30.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.59 150.1 35.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.02 105.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.46 154.22 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -151.66 168.61 24.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.33 115.8 4.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.77 42.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.97 166.38 10.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.2 p -49.0 169.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.56 82.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.5 146.9 35.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.58 150.02 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -132.55 149.48 52.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -79.47 109.15 13.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.0 117.32 5.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.42 168.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.3 p -122.97 102.22 7.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 m -106.4 128.2 53.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.96 164.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 55.78 101.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.348 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -124.3 -59.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -79.49 58.05 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.62 -70.79 1.02 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.0 -148.97 25.0 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 161.52 38.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -118.83 135.44 54.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -52.61 144.15 25.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ptp -153.76 170.9 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 m -68.33 113.88 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.42 -160.57 9.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 56.4 m -124.39 141.21 52.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.443 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.424 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 20.0 mm -74.74 107.54 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.59 -51.91 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' CG ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -132.51 170.88 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.404 ' HA ' ' CG ' ' A' ' 43' ' ' MET . 54.4 t -149.61 103.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.14 47.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.0 m -144.77 179.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 175.9 165.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.46 144.13 56.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.71 25.12 63.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.49 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 20.5 t70 -92.71 173.34 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -126.35 131.9 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.66 164.46 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 3.8 mttm -131.77 140.46 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.461 ' CB ' ' HA ' ' A' ' 58' ' ' LYS . . . -39.9 119.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.12 -39.75 2.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.14 142.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.42 104.63 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 56' ' ' SER . 81.2 mt -70.3 -67.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.404 ' CG ' ' HA ' ' A' ' 28' ' ' VAL . 0.4 OUTLIER -142.3 176.46 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.22 131.09 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.424 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 68.5 mtp -115.54 168.94 9.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mt -142.01 113.91 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -109.79 -74.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 ptp -96.47 65.47 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 46.09 28.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.68 141.46 51.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.07 124.6 29.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -106.21 146.85 29.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.668 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -115.5 96.94 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.56 99.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 126.41 30.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 13.8 t -48.38 145.17 5.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.7 6.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.432 1.753 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -170.79 161.14 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.65 153.16 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.7 172.83 35.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 61.3 m -103.75 103.67 13.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 0.0 110.427 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 40.4 t -44.72 109.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -68.16 -60.58 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 4.4 tttp -157.24 140.02 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 25.4 t -89.35 154.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.88 -32.07 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -114.65 145.61 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -129.3 -179.39 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -56.16 133.87 52.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.35 38.01 53.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.16 152.49 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 0.805 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -108.2 113.93 27.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.15 163.99 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.454 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -109.64 167.82 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -71.54 109.99 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.0 m80 85.35 57.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.454 HG21 ' CB ' ' A' ' 74' ' ' ASN . 13.7 p -127.47 152.8 77.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 49.3 mt -89.65 -54.45 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.0 m -130.25 153.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -118.69 123.89 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -79.33 155.29 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.38 168.74 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.89 157.04 29.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.85 161.45 30.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.38 -50.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.2 m -149.2 -58.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 40.85 71.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.43 80.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 90' ' ' ARG . 7.6 mtm105 -74.56 108.78 7.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.26 111.91 23.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.91 158.5 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -138.12 153.09 49.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.23 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.2 p -140.89 -173.68 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -146.46 89.34 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.46 3.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.75 141.03 30.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.6 p -167.89 173.61 8.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.923 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.6 -58.37 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t 75.67 -59.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.1 -79.97 0.21 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.03 132.07 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.053 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.47 135.97 45.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.19 146.72 5.46 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.31 81.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -155.53 82.29 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.98 -58.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 52.93 89.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.64 -59.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -102.44 -20.61 14.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -85.45 133.55 34.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.6 -72.14 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.16 -161.65 36.73 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.31 42.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -119.43 129.3 54.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB1' ' CD2' ' A' ' 79' ' ' LEU . . . -50.77 147.14 8.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptp -146.68 167.48 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 m -59.62 109.19 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.37 -179.97 24.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.505 ' CG2' ' O ' ' A' ' 71' ' ' ALA . 55.2 m -116.64 132.97 56.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.482 HG21 ' CG2' ' A' ' 28' ' ' VAL . 19.5 mm -67.89 104.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 18.1 tp10 -76.71 -50.89 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -121.91 162.04 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.54 ' CG2' ' SD ' ' A' ' 43' ' ' MET . 41.7 t -144.21 97.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -99.64 51.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -152.91 -173.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.36 -169.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.86 143.53 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.15 26.9 70.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.494 ' O ' ' CG2' ' A' ' 61' ' ' THR . 2.9 t0 -100.44 173.14 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -125.83 140.12 52.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.15 177.37 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -127.61 133.1 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.64 116.49 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.224 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.88 46.88 3.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -119.47 141.93 48.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 p -68.56 94.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' C ' ' HG2' ' A' ' 43' ' ' MET . 17.8 mt -69.67 -71.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.54 ' SD ' ' CG2' ' A' ' 28' ' ' VAL . 0.0 OUTLIER -133.82 178.08 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.5 t -127.38 135.68 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.472 ' CG ' HD12 ' A' ' 25' ' ' ILE . 19.9 mtp -113.99 166.71 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 11.6 mm -136.14 108.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -113.4 -71.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -103.58 66.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.11 27.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mtp -125.91 149.17 48.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -92.0 114.31 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -99.96 119.22 37.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -87.65 100.16 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.6 mp -71.34 97.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.98 144.48 31.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -64.94 139.83 97.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.83 7.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.86 175.7 12.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.73 148.27 30.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.31 21.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.494 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 5.9 m -97.05 107.76 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 59.0 t -43.25 118.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -78.16 -57.39 3.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -154.42 149.93 27.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.467 ' CG1' ' HE3' ' A' ' 43' ' ' MET . 29.7 t -96.65 148.83 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -104.41 -29.21 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -132.49 138.72 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -114.65 -173.73 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -55.01 138.28 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.47 42.03 99.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . 0.505 ' O ' ' CG2' ' A' ' 24' ' ' THR . . . -110.94 161.55 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.87 122.47 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.59 164.14 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.491 ' CB ' HG22 ' A' ' 77' ' ' THR . 0.6 OUTLIER -118.46 169.16 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -66.97 124.49 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.0 m170 71.15 57.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.647 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.491 HG22 ' CB ' ' A' ' 74' ' ' ASN . 47.2 p -127.94 151.89 76.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 125.02 9.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.412 ' CD2' ' HB1' ' A' ' 19' ' ' ALA . 2.4 mt -99.66 -56.08 2.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.2 m -130.21 150.77 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -111.83 147.74 35.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -102.01 154.97 18.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -78.07 169.56 18.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 108.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.84 162.7 6.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -141.09 -45.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -95.28 123.9 39.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -174.02 92.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -106.3 113.46 27.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -76.29 -58.78 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 60.07 100.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 p -141.33 146.08 36.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -116.3 141.66 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.0 p -133.75 168.65 18.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.17 157.32 23.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.429 1.752 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.79 162.76 21.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 m 65.79 164.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.972 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.97 -58.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.954 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.13 167.43 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.8 -160.95 13.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -68.29 132.76 47.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.8 p -87.74 136.39 32.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.2 -67.47 1.29 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.38 148.13 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 t -128.59 -56.1 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -128.45 113.68 15.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.15 123.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.69 -59.83 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -139.02 161.43 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.425 ' NE2' ' H ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -157.92 162.42 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.425 ' H ' ' NE2' ' A' ' 14' ' ' GLN . . . 77.93 91.49 0.31 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.474 1.108 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.76 150.97 8.72 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.27 35.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.12 140.55 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -58.54 141.9 83.38 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -29.19 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.8 ttm -173.7 170.04 4.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -61.23 130.23 45.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.4 ' N ' ' HE1' ' A' ' 45' ' ' MET . . . -165.83 -162.52 17.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' ILE . 51.1 m -127.94 129.66 47.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.437 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 32.2 mm -64.67 100.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 7.6 tp10 -71.76 -58.13 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.13 162.68 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.4 t -141.59 97.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.86 49.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 27.7 m -145.29 -170.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.31 -169.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.08 138.93 33.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.93 28.86 73.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.42 ' O ' ' CG2' ' A' ' 61' ' ' THR . 4.6 t0 -100.32 171.71 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -126.19 136.36 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.4 172.62 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -126.37 134.59 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.43 123.31 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.88 39.01 8.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -114.27 139.73 49.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -62.92 100.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 97.1 mt -75.69 -67.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.59 176.38 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLU . 95.8 t -123.51 130.57 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.437 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 4.5 mmm -118.33 162.75 17.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' THR . 6.2 mt -139.49 121.05 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.53 -86.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 mtm -94.93 71.47 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.57 45.53 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.0 mtm -141.88 146.48 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.54 122.23 33.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -108.29 140.49 41.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -118.31 96.18 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 3.9 mp -78.88 97.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -78.7 151.35 32.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 35.6 t -61.05 138.43 94.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -27.83 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.99 171.16 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 142.09 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.63 163.95 27.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 3.1 m -104.4 108.38 19.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 69.3 t -43.88 127.26 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -91.0 -54.5 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -151.59 143.62 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.43 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 21.2 t -92.57 156.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 37.8 m-85 -112.37 -28.49 7.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -126.91 155.98 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.35 171.04 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.55 131.76 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.84 51.07 31.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -120.77 165.84 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -112.19 115.26 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.1 163.73 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.485 ' CB ' HG22 ' A' ' 77' ' ' THR . 0.8 OUTLIER -118.21 168.57 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 63.7 mtm180 -68.64 115.53 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.6 m170 81.52 58.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.485 HG22 ' CB ' ' A' ' 74' ' ' ASN . 20.9 p -128.82 153.22 79.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.99 130.78 13.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.66 -48.37 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.09 146.66 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -109.92 117.3 33.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -74.61 155.07 38.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.43 168.21 11.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.84 147.89 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.99 147.34 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.53 -48.58 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.5 p -87.45 113.12 22.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -137.11 93.07 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.4 169.32 17.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.0 172.24 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -135.03 161.98 33.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -145.76 164.55 31.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.66 167.53 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.4 m -127.14 159.99 32.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.69 152.12 16.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -52.87 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.3 m 69.49 150.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.934 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.3 t -130.78 163.37 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 t -81.18 -58.58 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.746 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.15 91.41 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.86 -123.81 3.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -163.69 -58.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.965 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.57 97.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.27 178.36 32.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.425 ' CG1' ' N ' ' A' ' 9' ' ' SER . 11.3 p -54.01 -52.77 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.425 ' N ' ' CG1' ' A' ' 8' ' ' VAL . 34.6 t -148.51 92.03 1.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.1 p -174.2 157.39 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.43 143.51 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 45.44 73.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 t -93.43 154.09 18.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.69 150.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.05 71.87 1.02 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.28 157.11 7.81 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.69 136.8 32.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' CB ' ' O ' ' A' ' 74' ' ' ASN . . . -45.76 136.44 6.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -55.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' A' ' 22' ' ' THR . 26.4 ttt -137.36 163.14 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 75' ' ' ARG . 93.4 m -68.92 116.95 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.9 -164.46 14.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.0 m -124.81 136.67 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.439 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -68.5 121.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -97.77 -51.35 4.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -129.96 148.0 51.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 35.3 t -129.83 97.79 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -93.4 48.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.5 m -146.36 -178.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -179.56 175.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.1 145.79 37.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.6 26.03 61.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.7 t0 -93.28 173.14 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.348 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -125.97 132.26 52.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.55 163.32 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -128.6 133.43 48.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 58' ' ' LYS . . . -40.18 115.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.2 34.04 5.77 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -112.73 144.48 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -72.16 97.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 50.5 mt -70.66 -68.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.16 176.16 8.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.2 t -127.07 127.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.439 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 79.1 mtp -110.27 169.17 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -134.4 121.89 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.07 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mtm -100.96 62.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.97 25.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.11 149.07 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.22 117.19 29.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -102.37 132.83 48.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -98.77 100.07 11.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.6 96.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -79.54 136.84 36.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.34 144.93 91.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.37 5.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 38' ' ' ALA . 1.9 pttt -161.87 173.33 14.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.72 150.03 36.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.19 172.38 39.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 63.8 m -103.63 101.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 77.5 t -43.44 114.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -71.83 -58.35 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.7 149.0 16.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 6.5 t -87.96 149.41 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.515 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 21.2 m-85 -107.22 -32.11 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.45 ' CE2' ' HB3' ' A' ' 73' ' ' ALA . 52.6 m-85 -122.03 152.79 39.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -127.66 -179.59 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.38 136.08 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.88 33.97 65.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.21 139.49 53.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 0.805 . . . . 0.0 109.285 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.64 146.49 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.45 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . . . -137.54 157.85 45.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.494 ' O ' ' CB ' ' A' ' 19' ' ' ALA . 5.0 t30 -89.1 169.82 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 1.5 mtm180 -77.76 7.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -147.74 61.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.56 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 1.8 p -143.04 148.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.409 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 130.59 13.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 mt -90.67 -47.26 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -137.87 130.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.515 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.7 tt0 -92.08 119.91 32.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.79 152.7 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.45 148.45 49.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.55 156.08 33.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -122.62 172.9 8.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 51.69 -161.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.1 t -107.11 -81.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -126.72 64.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.61 91.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 ptt85 -155.66 177.24 11.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.63 162.83 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.7 p -100.53 116.63 32.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -175.48 151.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.07 170.62 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.65 120.28 4.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.19 39.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.7 p -64.88 165.39 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.6 p -53.82 166.85 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -150.85 155.59 39.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 109.956 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.79 129.83 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.02 72.94 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -175.97 86.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 110.031 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.8 p -162.36 166.96 24.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.16 108.95 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.0 t -87.53 86.24 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.589 0.817 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -158.67 160.6 36.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.7 p -98.9 120.83 40.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.6 86.64 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.24 145.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -114.16 129.17 56.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -166.62 154.69 10.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.72 -66.21 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.81 167.01 26.42 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.12 27.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -109.58 125.05 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -41.96 127.82 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.68 20.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.46 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 2.2 ptp -166.94 163.92 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.6 m -75.35 112.53 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.06 -171.51 19.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 16.8 m -116.36 150.7 37.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . . . . . . . . . 11.6 mm -80.58 128.28 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 5.6 tp10 -107.03 -44.4 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.22 146.79 43.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 37.6 t -130.57 97.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -95.28 49.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.41 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 27.7 m -148.67 -168.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.18 -169.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.68 142.01 29.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.55 24.01 72.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.441 ' O ' ' CG2' ' A' ' 61' ' ' THR . 3.3 t0 -97.51 171.92 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.766 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.13 134.07 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 m -132.65 178.99 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -132.55 135.97 46.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.14 124.37 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.18 42.05 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.84 147.99 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -72.96 88.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.41 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 95.5 mt -67.34 -67.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.97 176.53 8.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.41 125.01 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' MET . . . . . . . . . . . . . 83.6 mtp -106.16 168.27 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.457 ' CD1' ' HA ' ' A' ' 51' ' ' GLU . 19.9 mm -134.06 127.37 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.42 -95.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.43 ' C ' ' N ' ' A' ' 50' ' ' MET . 14.5 mtt -73.43 72.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' MET . 16.1 mmtt 40.37 29.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 1.5 ttt -138.84 152.62 47.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.457 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 1.9 pt-20 -101.83 137.36 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.476 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 2.0 m-70 -124.79 136.38 53.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -84.97 113.71 21.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 5.5 mm -71.74 100.78 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 142.76 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.96 141.99 94.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 -32.13 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -160.26 -173.84 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.21 150.02 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.49 164.64 17.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.441 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 2.9 m -98.45 107.74 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 60.7 t -43.31 120.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -81.31 -56.95 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.432 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -153.45 149.72 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.432 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 46.3 t -97.92 149.38 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.61 -37.83 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.454 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 71.8 m-85 -115.86 147.79 40.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -125.62 -178.3 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.6 135.94 50.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.31 38.65 91.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.22 142.83 44.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -94.15 108.87 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.454 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -100.59 162.08 13.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.456 ' CB ' HG23 ' A' ' 77' ' ' THR . 1.6 t30 -117.79 168.11 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.46 ' CD ' ' HA ' ' A' ' 21' ' ' MET . 8.5 ttt180 -70.91 119.72 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.416 ' NE2' ' HG2' ' A' ' 75' ' ' ARG . 5.6 m170 80.83 50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.456 HG23 ' CB ' ' A' ' 74' ' ' ASN . 48.5 p -124.84 152.56 69.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.48 6.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 24.6 mt -93.82 -54.61 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.9 m -137.91 149.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.19 153.15 21.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -107.91 155.07 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.98 163.16 27.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 85' ' ' GLU . 7.2 mt-10 -86.51 146.38 26.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.55 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 1.2 pt-20 43.75 -169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.55 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 1.2 tp10 60.5 121.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -152.42 132.61 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.33 89.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.86 138.3 57.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.77 -55.76 2.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.33 129.26 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.0 m -133.02 111.82 11.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -166.56 134.09 2.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.92 168.08 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.02 157.64 27.28 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -169.66 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.448 1.762 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 p -151.06 -58.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.938 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t 76.6 -153.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.032 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.81 -58.47 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 0.731 . . . . 0.0 110.067 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -115.24 150.37 36.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.69 103.31 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -138.84 -58.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -82.52 103.43 12.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.4 -174.59 28.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.098 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.18 121.5 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t 43.04 77.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.5 t -172.49 120.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -153.48 112.79 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.258 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.55 82.28 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t -109.52 148.93 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -170.67 120.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.76 -51.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.21 -167.51 13.06 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 128.46 11.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.37 132.26 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.93 145.11 65.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -30.03 7.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.772 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' THR . 3.9 ttt -178.34 161.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.428 ' N ' ' CG ' ' A' ' 21' ' ' MET . 36.3 m -57.97 109.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.49 -154.43 6.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.7 m -131.92 132.46 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.436 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -73.69 115.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.74 -53.11 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -131.43 154.71 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 53.5 t -136.57 100.68 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.99 50.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.454 ' CG1' HD21 ' A' ' 42' ' ' LEU . 35.7 m -149.13 -177.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.05 167.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 145.6 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.05 20.35 60.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 22.8 t0 -92.6 168.27 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.2 mmtp -123.22 133.18 54.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.95 176.93 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 2.1 mttt -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.84 117.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.0 31.81 14.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.44 147.22 26.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -70.08 87.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.454 HD21 ' CG1' ' A' ' 30' ' ' VAL . 81.5 mt -65.37 -68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -140.12 176.52 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.54 122.46 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.436 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 70.5 mtp -105.71 169.39 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -140.14 101.52 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.424 ' HB1' ' CD2' ' A' ' 52' ' ' HIS . . . -131.42 165.19 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 50.61 24.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt 67.76 17.82 9.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.469 ' O ' ' CE1' ' A' ' 52' ' ' HIS . 16.8 tpp -128.4 145.6 51.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.19 146.12 37.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.469 ' CE1' ' O ' ' A' ' 50' ' ' MET . 5.5 m-70 -133.99 160.07 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -118.78 107.77 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.8 mm -75.01 98.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -88.35 156.73 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.443 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . 1.2 t -79.8 136.95 54.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.79 7.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -161.63 169.23 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.99 148.93 29.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.69 165.72 24.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 45.9 m -87.95 107.8 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.408 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.2 t -45.85 108.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -65.52 -59.18 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -163.13 148.52 11.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.422 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 4.0 t -95.8 140.05 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 49.1 m-85 -96.86 -26.99 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.419 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 79.1 m-85 -119.51 148.93 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -125.75 -173.16 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.51 147.29 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 45.2 56.51 6.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.82 167.83 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -104.67 113.55 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -89.82 163.8 14.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG22 ' A' ' 77' ' ' THR . 5.4 m-20 -117.15 168.44 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp85 -83.27 93.95 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.4 m170 88.7 70.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.47 HG22 ' CB ' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -140.12 153.94 69.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.94 106.61 2.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 29.2 mt -72.3 -51.75 19.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 2.5 m -130.06 163.73 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.1 tt0 -124.84 127.19 46.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -83.58 154.15 23.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.14 164.69 25.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.2 110.06 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.63 153.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.6 83.89 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 m -90.39 110.39 21.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -157.93 96.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 176.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 61.35 149.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.97 100.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.3 p -113.54 121.78 45.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.023 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.82 92.75 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.6 157.49 10.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -125.22 154.46 18.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.09 4.18 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.3 m -74.49 158.54 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -165.09 111.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.05 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -154.5 159.22 40.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 p 178.51 146.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.8 78.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.77 107.62 18.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.71 -60.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.38 87.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 26.9 m 41.12 52.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.571 0.806 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -94.84 137.9 33.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.39 -61.26 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 67.81 91.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.36 120.52 4.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 m -106.61 -69.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.59 154.96 39.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.78 -93.95 0.81 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.64 161.74 52.55 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' ALA . 63.5 mt -100.07 115.44 29.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 18' ' ' LEU . . . -40.28 143.78 0.61 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -41.14 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -147.57 179.08 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.437 ' N ' ' HG2' ' A' ' 75' ' ' ARG . 7.5 m -84.68 113.03 21.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.61 -165.45 11.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ILE . 40.6 m -120.0 142.97 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.41 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 18.6 mm -75.0 122.18 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -97.99 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -136.22 146.27 46.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 25.2 t -128.09 99.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.06 50.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.6 m -148.55 -178.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 179.88 174.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 146.23 39.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.75 21.71 58.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -90.46 171.31 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 2.9 mmtp -126.22 133.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -135.4 168.75 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -127.94 135.79 50.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.98 118.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.77 36.9 7.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.49 145.95 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -69.79 87.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 96.5 mt -67.11 -68.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -140.27 176.32 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.989 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.2 t -124.26 133.86 68.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.41 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 68.1 mtp -115.79 169.11 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.448 ' CD1' ' HA ' ' A' ' 51' ' ' GLU . 14.7 mm -140.28 107.85 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -108.66 -99.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 50' ' ' MET . 7.1 mtp -66.85 68.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.1 mmtt 39.94 30.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 48' ' ' MET . 1.5 mtt -130.9 158.22 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.448 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 5.6 tt0 -97.64 138.32 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -130.4 150.34 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 m -105.53 111.31 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.0 mm -71.6 97.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.85 134.99 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -62.0 142.79 95.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -33.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -163.99 168.94 18.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.13 146.68 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.26 -171.63 44.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 52.6 m -113.25 103.31 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 75.5 t -42.95 118.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -76.24 -57.4 3.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.431 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -162.35 141.34 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.465 HG11 ' CG1' ' A' ' 80' ' ' VAL . 3.9 t -90.31 137.99 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -99.92 -24.3 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 51.1 m-85 -120.37 144.59 47.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.7 mmt180 -127.81 -179.25 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.05 129.21 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.25 28.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.06 139.58 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -89.17 111.67 22.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.89 164.49 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.539 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -118.57 169.63 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 22' ' ' THR . 17.4 mtm180 -66.72 124.42 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 66.87 63.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.539 HG21 ' CB ' ' A' ' 74' ' ' ASN . 18.4 p -128.45 152.05 77.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.86 4.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 48.9 mt -89.94 -51.84 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.465 ' CG1' HG11 ' A' ' 65' ' ' VAL . 2.6 m -133.5 164.33 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 118.26 25.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -77.71 153.05 33.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.77 169.94 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.24 142.07 52.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.71 157.87 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -118.52 101.24 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.8 158.42 25.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 47.1 t0 179.0 -37.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.06 124.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.56 91.88 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -175.34 141.43 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.02 112.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.17 92.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.71 160.94 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.18 66.07 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.76 41.87 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.28 101.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -172.08 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.19 146.57 47.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.766 . . . . 0.0 110.006 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -91.81 136.58 33.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.8 76.35 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.63 -58.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -67.65 97.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.945 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 -172.72 20.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -97.34 119.35 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.08 89.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 49.56 92.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -108.79 168.25 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -173.44 -59.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 t -127.7 152.18 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.427 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -140.85 124.01 16.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.19 74.24 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.51 155.34 8.61 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.446 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 162.9 36.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.3 mt -122.76 127.18 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.01 136.57 8.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -17.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.809 . . . . 0.0 110.977 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.403 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER 178.61 159.88 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m -57.93 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.11 -170.62 16.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.6 m -122.91 136.52 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.475 ' CG2' HG21 ' A' ' 28' ' ' VAL . 27.9 mm -72.04 104.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.9 tp10 -74.36 -43.09 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.77 164.11 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.535 ' CG2' ' SD ' ' A' ' 43' ' ' MET . 44.8 t -144.54 96.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.88 50.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 31.3 m -151.22 -176.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.58 -167.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.3 142.37 27.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.21 20.76 69.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' O ' ' CG2' ' A' ' 61' ' ' THR . 0.6 OUTLIER -95.33 161.6 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 142.91 46.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.64 159.99 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -108.09 134.45 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.12 113.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.41 44.41 2.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.54 143.72 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -71.19 84.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' C ' ' HG2' ' A' ' 43' ' ' MET . 61.7 mt -57.88 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' MET . . . . . 0.535 ' SD ' ' CG2' ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.39 178.23 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 92.6 t -125.79 132.87 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.429 ' CG ' HD13 ' A' ' 25' ' ' ILE . 4.2 mtp -112.31 164.89 12.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 10.4 mm -136.56 111.74 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -117.28 -73.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mtp -96.59 62.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 45.51 26.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 mmm -125.48 151.09 46.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -86.37 121.36 28.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -107.84 117.43 34.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.623 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -90.48 98.54 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.06 94.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -80.16 139.53 36.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.79 140.61 85.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.03 14.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -164.91 -179.85 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -86.92 139.45 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.29 165.15 31.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' THR . . . . . 0.425 ' CG2' ' O ' ' A' ' 34' ' ' ASP . 49.3 m -97.44 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.6 t -44.48 119.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -73.4 -56.72 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -152.96 168.51 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 3.5 t -122.89 134.51 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 47.1 m-85 -116.88 25.58 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 56.2 m-85 -158.27 141.18 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.54 -174.24 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -59.58 126.11 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.15 41.68 38.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.44 138.46 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.35 121.09 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.565 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . . . -118.96 163.09 17.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . 0.465 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.4 OUTLIER -118.36 168.04 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp180 -70.57 120.03 15.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER 81.14 51.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.465 HG21 ' CB ' ' A' ' 74' ' ' ASN . 45.6 p -125.96 145.0 50.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.97 108.51 2.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.435 1.755 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.54 -45.1 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.446 HG23 ' CD ' ' A' ' 17' ' ' PRO . 4.5 m -137.93 167.55 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -123.84 155.3 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -112.55 151.95 29.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.45 168.31 20.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -84.88 71.65 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.31 178.36 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -60.43 -73.47 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER 83.31 158.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.11 86.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -108.99 98.49 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.29 105.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -151.83 -56.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 t -50.04 -61.69 2.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.19 118.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 t -87.4 150.91 23.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.07 96.93 0.15 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.2 t -134.09 163.14 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 t 61.66 154.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 m -58.63 171.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -100.76 142.8 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.3 -84.73 0.18 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.99 161.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.66 138.2 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.25 -167.99 12.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 12.8 p -111.56 64.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 109.332 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 m -124.85 124.61 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.96 -53.5 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -64.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -146.25 135.03 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.4 m -88.97 -59.31 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.42 104.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.39 -63.94 0.17 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.54 -166.28 38.55 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.757 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 10.7 mt -68.2 155.92 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.06 139.18 91.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -28.22 9.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.77 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.456 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 10.5 ttm -169.68 153.27 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 m -57.95 105.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.84 -169.36 17.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' ILE . 94.1 m -118.62 146.52 44.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 110.445 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.416 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 15.5 mm -73.39 122.99 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -99.5 -51.02 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.41 148.94 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 43.5 t -130.05 100.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -99.22 50.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG21 ' CG1' ' A' ' 80' ' ' VAL . 31.3 m -149.13 -175.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -175.66 -166.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.14 148.75 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 61.5 21.14 59.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' OD1' ' CE ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -95.81 168.03 10.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.409 ' N ' ' HD2' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -126.01 127.82 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.02 158.49 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.08 135.25 50.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.77 113.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.49 46.05 2.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.99 141.25 48.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -67.63 91.15 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.456 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 67.6 mt -63.71 -71.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -140.34 176.43 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.8 t -125.83 132.58 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.416 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 75.3 mtp -114.78 168.81 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.6 mm -134.52 122.02 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.84 -73.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -103.05 63.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 47.05 28.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -127.22 147.11 50.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -90.26 114.92 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -98.98 120.43 39.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -90.29 100.41 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -71.59 99.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -82.06 137.62 35.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -57.37 143.19 74.65 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.69 5.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 -173.62 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.32 137.81 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.53 -176.67 48.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 15.3 m -108.19 123.14 48.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.437 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 95.5 t -68.9 109.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -67.98 -46.0 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.4 177.95 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.0 t -115.71 172.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 39.8 m-85 -122.32 -38.68 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.52 ' CE2' ' HB3' ' A' ' 73' ' ' ALA . 54.3 m-85 -127.16 153.46 46.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 8.3 mtt-85 -122.95 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -54.07 146.51 14.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.43 44.82 77.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -122.06 155.7 35.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.331 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -110.38 136.54 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.52 ' HB3' ' CE2' ' A' ' 67' ' ' TYR . . . -142.42 127.93 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -69.34 158.53 34.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.456 ' CG ' ' HA ' ' A' ' 21' ' ' MET . 20.5 ttp-105 -69.87 60.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . 0.618 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -174.13 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.633 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.4 p -59.09 150.73 60.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.546 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 152.76 41.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.5 mt -106.03 -53.87 2.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.466 ' CG1' HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.99 140.72 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.1 tt0 -96.37 124.41 40.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.97 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.26 161.9 29.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 142.58 56.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.31 153.18 38.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.26 124.73 50.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.29 109.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.048 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.38 94.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 155.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.44 168.89 5.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -147.51 146.2 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.03 151.6 27.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -115.71 133.39 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.4 t -105.66 164.76 11.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -158.13 94.62 0.14 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.87 41.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 32.8 t -159.39 173.77 15.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.1 t -102.13 165.79 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -163.63 139.0 6.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 0.754 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -133.43 159.21 41.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.0 139.87 8.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.15 102.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -117.61 153.86 32.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.37 74.87 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -133.82 102.08 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 0.724 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.86 -57.8 2.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.0 m 61.26 159.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -144.18 142.74 30.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -135.09 81.47 1.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t 44.89 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.41 159.56 34.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 162.44 -49.81 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.27 171.51 42.26 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 130.91 13.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.58 117.76 28.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -42.55 148.44 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.78 6.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.418 ' CG ' ' N ' ' A' ' 22' ' ' THR . 11.3 ttp -179.18 156.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.418 ' N ' ' CG ' ' A' ' 21' ' ' MET . 58.6 m -58.0 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -136.51 -156.85 7.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -124.1 131.85 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.396 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ILE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 45' ' ' MET . 11.5 mm -71.72 113.75 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.24 -53.07 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -131.62 157.07 44.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.0 t -137.86 98.39 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.54 51.27 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.445 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 30.9 m -150.4 -175.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.99 -165.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -99.08 143.38 29.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.52 26.48 69.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -100.7 157.39 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 132.41 56.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.94 162.32 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' N ' ' CD ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 133.94 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.49 113.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.87 42.59 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.99 144.48 38.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -71.1 83.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.445 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 62.9 mt -54.28 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -139.96 176.41 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.3 t -126.0 132.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' MET . . . . . 0.467 ' HG2' ' CD1' ' A' ' 25' ' ' ILE . 85.7 mtp -117.17 166.04 12.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 15.0 mm -139.09 106.94 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.41 ' HB2' ' NE2' ' A' ' 52' ' ' HIS . . . -92.66 -98.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.438 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -93.83 87.12 5.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 29.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mmt -128.52 150.82 50.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -105.36 139.45 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' HIS . . . . . 0.41 ' NE2' ' HB2' ' A' ' 47' ' ' ALA . 0.5 OUTLIER -132.74 133.53 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.565 -179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -99.75 101.47 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.9 mp -71.11 95.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.77 151.16 28.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -66.2 140.52 96.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.957 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -31.06 6.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -161.39 172.74 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.52 120.74 23.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.95 169.36 37.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' THR . . . . . . . . . . . . . 2.2 m -104.27 104.51 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.0 t -44.89 116.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -74.19 -56.37 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -157.79 147.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.42 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 11.7 t -95.9 145.85 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -106.25 -25.98 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' TYR . . . . . 0.474 ' CD1' ' HA ' ' A' ' 79' ' ' LEU . 51.9 m-85 -118.85 152.02 37.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -131.74 -177.28 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -53.9 144.66 18.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.23 53.42 27.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -121.32 159.07 26.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -95.3 111.21 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.415 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -85.79 164.3 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -114.18 168.95 9.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.45 99.6 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 73.81 75.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . 0.421 ' OG1' ' HD2' ' A' ' 78' ' ' PRO . 0.0 OUTLIER -139.59 153.76 70.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.08 95.2 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.474 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 5.6 mt -71.67 -59.03 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.6 148.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.34 142.4 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -102.31 153.72 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.48 167.6 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -88.45 101.98 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.52 145.96 30.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -134.24 -49.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.74 99.8 9.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -95.73 94.11 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.078 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -83.42 126.14 32.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -140.68 153.8 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.59 132.12 56.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -59.85 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.54 77.4 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.32 150.63 26.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.27 158.36 23.94 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 161.49 38.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.42 -60.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 p -55.12 145.17 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -74.96 174.8 12.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 77' ' ' THR . 56.1 mt -134.33 126.37 29.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.72 148.78 2.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.51 176.3 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -65.61 109.0 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.81 -168.11 13.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 96.6 m -127.07 134.57 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.677 HD13 ' CG ' ' A' ' 45' ' ' MET . 32.6 mm -68.16 115.29 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 22.4 tp10 -88.49 -49.37 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -132.35 160.64 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.563 HG22 ' HG2' ' A' ' 43' ' ' MET . 53.9 t -141.48 104.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.51 50.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.8 m -149.39 -175.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.25 166.06 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.74 148.86 48.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.13 27.37 59.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 25.6 t0 -98.05 173.05 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -126.05 127.85 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -127.08 174.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.2 mttm -132.57 133.56 43.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.13 120.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.44 39.07 7.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.72 148.82 32.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.5 OUTLIER -73.35 96.46 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.48 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 90.7 mt -73.02 -67.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.563 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.38 176.15 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -124.85 132.67 71.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.677 ' CG ' HD13 ' A' ' 25' ' ' ILE . 5.8 mtp -113.96 165.18 12.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 12.3 mm -137.72 109.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.424 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.57 -79.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.55 54.63 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttm 49.99 23.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.8 ttp -123.44 149.84 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -84.21 116.1 22.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' HD12 ' A' ' 54' ' ' ILE . 3.8 m-70 -106.71 100.82 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.441 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 81.5 m -74.23 101.56 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 52' ' ' HIS . 1.4 mp -70.95 96.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 145.98 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.406 ' OG ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -70.24 139.55 87.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 18.4 Cg_endo -75.0 -30.65 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -154.08 -176.37 5.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.93 153.84 18.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.92 172.16 32.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 77.6 m -93.21 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 53.9 t -44.11 118.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -75.7 -52.84 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.34 146.45 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.88 HG13 ' CG1' ' A' ' 80' ' ' VAL . 2.4 t -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 49.6 m-85 -106.57 25.18 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 28.8 m-85 -157.52 149.39 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -140.51 -176.05 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.89 129.55 42.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.52 32.39 51.21 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . . . -100.49 152.43 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -110.2 115.81 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . . . -107.54 164.21 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.527 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.5 t30 -117.62 168.03 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 117.97 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 71.7 64.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.527 HG21 ' CB ' ' A' ' 74' ' ' ASN . 23.5 p -130.54 153.79 81.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.31 7.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.92 -48.3 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.88 ' CG1' HG13 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -139.12 152.65 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.06 131.24 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.78 153.28 23.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.476 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -74.93 168.0 25.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -126.6 127.41 45.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -48.64 145.18 6.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.84 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.7 167.72 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -73.87 105.15 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.24 -155.62 6.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 55.3 m -127.23 145.93 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.699 HD13 ' HG2' ' A' ' 45' ' ' MET . 8.5 mm -75.67 120.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -96.01 -48.42 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -136.0 156.47 48.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.591 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.7 t -137.47 100.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -100.21 50.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 29.2 m -149.69 -174.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.83 -165.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.24 145.36 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.11 25.7 66.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -100.38 158.6 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 132.65 56.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.37 161.9 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 134.17 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.55 114.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.91 3.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.06 143.19 42.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 p -68.74 91.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 56' ' ' SER . 33.8 mt -62.67 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.591 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.31 176.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -126.6 129.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.699 ' HG2' HD13 ' A' ' 25' ' ' ILE . 72.2 mtp -111.96 169.28 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mm -135.38 121.96 33.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.55 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -122.23 -72.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' MET . 4.0 mtt -109.13 74.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.39 31.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.401 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.9 mmt -131.42 148.3 52.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -95.23 120.37 35.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.55 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.7 m-70 -102.41 128.14 49.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -97.22 98.87 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 54' ' ' ILE . 2.3 mp -70.99 94.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -79.99 136.73 36.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.602 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.06 141.48 76.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.45 10.97 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -165.8 173.41 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.97 128.57 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.93 161.56 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 6.3 m -96.79 103.73 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 62.6 t -44.24 119.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -79.24 -56.04 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.14 143.22 16.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.537 HG13 HG12 ' A' ' 80' ' ' VAL . 10.6 t -92.19 150.52 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -108.72 -29.63 8.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -118.68 143.54 46.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -123.08 -175.3 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.18 136.42 52.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.26 49.31 71.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . . . -118.4 149.62 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -98.21 112.45 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.83 164.08 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.737 ' HB2' HG21 ' A' ' 77' ' ' THR . 3.3 m-80 -114.12 167.7 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 24.7 ttp180 -70.5 112.18 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.6 m170 80.86 60.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 74' ' ' ASN . 8.1 p -127.63 152.85 77.39 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 19' ' ' ALA . 51.6 mt -81.13 -52.21 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.537 HG12 HG13 ' A' ' 65' ' ' VAL . 4.3 m -130.24 161.08 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.97 128.97 53.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -83.5 155.04 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.1 35.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 86.9 mt -123.56 141.55 51.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -53.69 138.83 51.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.98 -36.22 2.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.448 1.762 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.5 ttt -161.66 172.6 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.0 m -70.52 123.3 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.1 -157.35 9.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' SD ' ' A' ' 45' ' ' MET . 60.0 m -133.04 129.66 38.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.939 HD13 ' HG2' ' A' ' 45' ' ' MET . 14.3 mm -63.65 101.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.5 tp10 -67.15 -52.11 45.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 172.65 12.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG22 ' HG2' ' A' ' 43' ' ' MET . 47.3 t -149.22 100.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -98.93 51.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 80' ' ' VAL . 27.5 m -149.4 -173.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.28 -164.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -102.13 143.15 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.74 25.79 70.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.917 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -98.47 169.89 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 129.8 49.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.41 174.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.15 135.97 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.38 122.97 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 45.14 6.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -121.63 137.55 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -62.51 103.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 56' ' ' SER . 83.1 mt -79.89 -67.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.505 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.27 176.19 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.2 t -124.73 137.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.939 ' HG2' HD13 ' A' ' 25' ' ' ILE . 7.9 mmm -122.81 162.07 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.85 113.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -112.37 -69.19 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.426 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -113.17 76.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.06 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -130.96 146.95 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.25 123.88 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.463 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.4 m-70 -110.4 109.64 20.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 m -83.33 97.39 8.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.9 mp -71.39 94.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -81.04 143.99 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.481 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -58.81 137.79 86.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.98 13.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -165.08 178.87 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.48 152.16 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.93 172.17 32.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.917 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.6 m -114.4 106.56 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.3 t -43.32 122.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -85.54 -56.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -149.46 141.87 24.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 66' ' ' PHE . 43.9 t -93.17 163.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 61.0 m-85 -120.41 -37.23 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 42.3 m-85 -125.1 138.77 54.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -114.88 -169.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 131.78 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.59 30.99 61.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.55 152.69 20.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -105.81 113.01 26.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.52 162.5 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.0 OUTLIER -118.15 168.42 10.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -69.13 121.25 16.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 7.5 m170 78.84 51.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 74' ' ' ASN . 72.8 p -126.92 156.24 74.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 129.66 12.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 19' ' ' ALA . 10.3 mt -100.6 -54.08 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG11 HG21 ' A' ' 30' ' ' VAL . 1.3 m -140.94 148.8 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.82 139.29 41.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -96.72 153.75 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.01 139.39 24.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -103.45 136.02 43.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -55.86 147.29 43.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ptp -148.87 -179.53 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.3 m -73.87 121.32 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.0 -156.57 8.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -133.0 146.33 51.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.703 HD13 ' HG2' ' A' ' 45' ' ' MET . 10.5 mm -77.34 118.05 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -93.13 -47.89 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -134.61 150.52 50.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.678 HG22 ' HG2' ' A' ' 43' ' ' MET . 20.8 t -134.47 93.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -90.31 46.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG22 HG13 ' A' ' 28' ' ' VAL . 26.9 m -146.95 -176.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.0 166.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.76 145.32 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.75 31.61 72.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 61' ' ' THR . 17.5 t0 -103.26 173.87 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -124.01 131.56 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 60' ' ' GLY . 13.1 m -138.68 170.32 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -134.05 137.41 44.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.62 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -39.87 124.77 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.59 -42.36 1.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.7 142.83 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -76.65 100.83 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' ' 56' ' ' SER . 81.5 mt -64.15 -68.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.678 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.96 176.34 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 52' ' ' HIS . 73.0 t -127.67 131.67 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.703 ' HG2' HD13 ' A' ' 25' ' ' ILE . 74.1 mtp -112.63 169.12 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 17.1 mm -132.19 100.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -131.77 170.72 14.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.5 26.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 59.21 38.79 23.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.5 mmt -146.41 164.58 31.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -87.35 139.6 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.534 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.0 m-70 -133.98 144.62 48.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.4 m -117.8 100.83 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.97 101.6 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -81.21 147.04 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.606 ' HB2' HD21 ' A' ' 42' ' ' LEU . 44.7 t -65.14 141.24 98.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -164.39 161.43 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.61 144.59 56.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLY . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . . . 172.41 162.75 25.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.0 m -95.75 103.82 15.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 81' ' ' GLU . 42.0 t -42.93 119.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -79.91 -53.25 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -157.11 146.15 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.798 HG13 HG12 ' A' ' 80' ' ' VAL . 2.6 t -93.74 149.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -105.61 -28.39 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -135.26 140.07 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 2.7 mtt180 -120.23 179.93 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.26 130.29 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.05 -21.98 31.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -62.02 153.18 30.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -115.32 114.95 25.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.84 164.05 13.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.73 168.85 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.06 117.9 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 m170 68.69 71.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.1 p -137.35 155.72 75.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 19' ' ' ALA . 13.1 mt -91.1 -56.27 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.798 HG12 HG13 ' A' ' 65' ' ' VAL . 4.1 m -137.46 158.0 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 3.4 tm-20 -115.06 149.32 37.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -106.44 154.96 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.98 145.2 31.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -106.65 130.6 54.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.708 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -48.93 145.43 6.43 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.96 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.76 -178.16 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.2 m -82.24 105.92 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -143.13 -165.73 10.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' MET . 37.1 m -120.61 142.78 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.726 HD13 ' HG2' ' A' ' 45' ' ' MET . 14.7 mm -72.47 116.62 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.54 -49.0 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.1 154.13 51.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 43' ' ' MET . 48.2 t -135.33 102.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -100.18 51.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 42' ' ' LEU . 33.4 m -152.18 -177.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.96 -178.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.06 144.52 29.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.87 24.62 64.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' THR . 4.8 t0 -93.31 172.19 8.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HD3' HG23 ' A' ' 61' ' ' THR . 6.0 mmtp -126.37 129.66 49.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.19 170.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -129.42 135.85 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.01 120.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.11 47.67 5.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -121.66 139.56 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -66.28 97.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 56' ' ' SER . 20.7 mt -73.1 -65.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.489 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.92 176.25 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.2 t -126.78 132.07 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.726 ' HG2' HD13 ' A' ' 25' ' ' ILE . 70.9 mtp -115.49 169.15 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.7 mm -136.41 113.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.17 -72.16 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmm -99.9 60.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt 47.59 25.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -125.42 146.86 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -85.88 119.86 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.5 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.9 m-70 -104.07 129.01 51.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 m -98.19 100.33 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 54' ' ' ILE . 2.1 mp -73.63 95.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -80.17 142.99 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -65.89 139.75 96.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -26.58 10.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -164.33 165.12 22.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.56 142.96 40.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.66 175.34 46.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 97.4 m -102.84 100.23 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.747 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 90.2 t -42.82 111.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.76 -59.45 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.06 144.2 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 80' ' ' VAL . 14.7 t -92.09 148.61 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.47 -27.63 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -119.91 148.48 43.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -131.19 179.25 6.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -53.35 135.99 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.8 80.46 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -119.89 150.09 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.35 112.24 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.66 164.04 11.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.679 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -112.11 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -66.35 111.73 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.72 67.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.679 HG21 ' HB2' ' A' ' 74' ' ' ASN . 2.2 p -127.31 155.59 76.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 19' ' ' ALA . 21.0 mt -91.66 -53.24 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 65' ' ' VAL . 4.9 m -129.31 150.73 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -117.11 123.6 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.2 153.27 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -74.95 152.29 40.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 96.8 mt -110.36 137.73 47.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -54.75 152.02 13.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.62 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.456 1.766 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.5 ttt -159.34 168.41 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 m -57.81 110.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.16 -163.01 11.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -125.37 147.52 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 ' HG2' ' A' ' 45' ' ' MET . 9.4 mm -77.16 122.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -95.65 -50.43 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -135.48 152.87 51.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.559 HG22 ' HG2' ' A' ' 43' ' ' MET . 54.2 t -136.37 103.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.67 50.77 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 35.3 m -151.25 -174.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.57 174.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.24 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.29 68.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 43.6 t0 -94.83 173.48 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.7 130.96 52.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.1 163.9 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 38' ' ' ALA . 7.5 mttt -123.92 133.69 53.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.18 113.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.08 39.47 4.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.85 145.07 40.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -74.85 83.81 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 56' ' ' SER . 22.0 mt -56.96 -67.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.559 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.78 176.17 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.24 129.34 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.751 ' HG2' HD13 ' A' ' 25' ' ' ILE . 62.9 mtp -112.92 168.98 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -130.34 100.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -132.82 168.87 17.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 45.8 24.23 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.39 34.03 18.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.4 mmm -142.13 169.76 16.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.67 138.54 32.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.471 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 2.9 m-70 -134.15 148.08 50.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 m -117.93 104.45 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 54' ' ' ILE . 2.1 mp -74.2 96.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -79.38 149.68 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.603 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -68.2 137.52 91.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.23 11.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -165.61 166.07 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.44 143.65 34.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -180.0 -169.19 39.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 99.8 m -115.22 100.57 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.9 t -44.25 100.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.7 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.26 146.32 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 80' ' ' VAL . 19.4 t -95.58 144.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.61 -31.26 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.3 140.9 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -121.31 -174.32 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.52 137.83 52.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.9 47.03 92.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.82 146.03 43.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.21 113.19 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB3' ' CE ' ' A' ' 45' ' ' MET . . . -103.84 164.41 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.747 ' HB2' HG21 ' A' ' 77' ' ' THR . 1.2 m120 -117.94 168.6 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 116.94 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 66.93 70.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.554 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.747 HG21 ' HB2' ' A' ' 74' ' ' ASN . 1.9 p -128.73 153.39 79.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.57 2.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 19' ' ' ALA . 81.0 mt -83.15 -59.68 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.486 HG23 ' HD2' ' A' ' 17' ' ' PRO . 15.5 m -124.29 160.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.63 121.42 35.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.72 153.55 32.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.38 38.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -120.88 136.7 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -55.42 144.03 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -45.15 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -154.6 160.24 41.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 73' ' ' ALA . 90.8 m -61.62 106.71 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.27 -162.1 8.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ILE . 56.5 m -124.38 138.03 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.716 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.2 mm -69.1 126.07 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.2 -50.23 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -136.52 145.48 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.575 HG22 ' HG2' ' A' ' 43' ' ' MET . 29.0 t -126.69 96.2 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 29.4 m-85 -95.7 49.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 42' ' ' LEU . 28.0 m -147.21 -171.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 178.06 -169.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.5 139.45 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.05 27.58 73.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.755 ' O ' HG23 ' A' ' 61' ' ' THR . 2.6 t0 -100.27 173.27 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -125.16 134.58 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.08 168.12 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 4.1 mmtp -125.26 134.23 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.25 115.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.67 4.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.74 148.4 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.6 OUTLIER -73.91 88.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 56' ' ' SER . 87.4 mt -63.47 -69.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.575 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.08 176.31 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG13 ' HG3' ' A' ' 51' ' ' GLU . 94.2 t -125.15 136.48 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.716 ' HG2' HD13 ' A' ' 25' ' ' ILE . 79.9 mtp -121.4 167.21 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 51' ' ' GLU . 11.1 mm -139.35 111.87 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.89 -87.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.431 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -106.27 88.21 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? 41.88 28.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' MET . 13.5 tpp -130.68 146.23 52.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.1 tt0 -101.19 139.1 37.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -125.91 151.42 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.631 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' THR . . . . . 0.476 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 22.8 m -119.1 103.68 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 54' ' ' ILE . 2.9 mp -70.88 95.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -81.34 127.69 33.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -47.59 139.98 8.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.38 8.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -163.96 175.41 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.65 152.81 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.7 167.14 23.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 34' ' ' ASP . 6.2 m -106.34 105.91 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 67.3 t -43.79 124.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -84.76 -51.81 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -162.27 141.4 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 HG12 ' A' ' 80' ' ' VAL . 21.7 t -91.19 157.32 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -115.18 -28.93 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -120.43 143.57 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -122.14 -169.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.65 141.41 58.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.46 47.73 88.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.576 1.172 . . . . 0.0 111.054 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.57 151.63 35.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -98.62 110.75 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 22' ' ' THR . . . -103.37 164.18 11.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.582 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -116.49 168.14 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 119.9 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m170 68.38 63.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.582 HG21 ' CB ' ' A' ' 74' ' ' ASN . 12.4 p -124.81 154.57 70.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 110.22 3.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.449 1.762 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 19' ' ' ALA . 57.4 mt -85.99 -61.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.468 HG12 HG13 ' A' ' 65' ' ' VAL . 7.6 m -124.34 157.26 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -116.54 134.86 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -88.78 155.07 19.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 161.46 38.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 77' ' ' THR . 34.8 mt -120.23 125.09 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 141.84 2.15 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.7 ttt -145.27 170.61 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.6 m -58.89 127.66 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.37 176.82 43.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' MET . 31.2 m -113.72 145.75 40.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.362 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.859 HD13 ' HG2' ' A' ' 45' ' ' MET . 16.7 mm -77.39 116.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -93.39 -48.71 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.45 150.81 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.815 HG22 ' HG2' ' A' ' 43' ' ' MET . 52.6 t -132.23 102.77 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 25.1 m-85 -97.95 50.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.539 HG22 HG13 ' A' ' 28' ' ' VAL . 27.0 m -145.52 -175.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.57 166.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.15 143.7 48.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.42 24.81 66.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 15.1 t0 -93.55 169.95 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -126.14 131.73 51.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.62 156.48 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.94 135.81 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.68 112.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.8 31.68 6.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.96 150.27 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.49 99.43 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 54.2 mt -71.67 -68.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.815 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.22 176.28 8.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.1 t -126.16 123.41 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.859 ' HG2' HD13 ' A' ' 25' ' ' ILE . 76.3 mtp -106.48 168.61 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 51' ' ' GLU . 25.1 mm -129.84 99.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.25 166.22 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.2 mmt 51.73 20.23 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.71 17.65 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -127.63 -179.36 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.6 tt0 -112.59 138.95 48.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.09 159.75 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -121.15 106.98 12.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.28 117.44 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -91.86 155.61 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.3 t -73.56 141.31 79.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.04 -28.61 8.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -166.78 169.91 12.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.53 145.48 36.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.43 174.09 40.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 34' ' ' ASP . 82.0 m -99.73 108.4 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.1 t -48.49 101.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -58.66 -62.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -158.76 145.5 17.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 67' ' ' TYR . 42.3 t -91.42 140.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -100.46 -38.08 8.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 73' ' ' ALA . 29.2 m-85 -105.62 148.15 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -132.29 178.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.14 129.2 39.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.47 27.71 46.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.56 145.83 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -104.59 110.69 23.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . . . -103.08 164.33 11.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.486 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -114.37 168.7 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -64.87 112.44 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 79.24 65.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.549 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.486 HG21 ' HB2' ' A' ' 74' ' ' ASN . 16.6 p -132.43 154.85 81.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.14 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 mt -98.31 -57.54 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 30' ' ' VAL . 4.0 m -126.04 152.86 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -110.47 157.07 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.8 152.3 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.252 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.11 42.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.7 mt -116.07 130.36 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.808 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -52.84 148.15 14.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ttt -151.41 163.56 38.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 75' ' ' ARG . 53.5 m -63.67 111.3 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.92 -156.89 7.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 71' ' ' ALA . 16.2 m -132.25 140.06 48.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.66 HD13 ' HG2' ' A' ' 45' ' ' MET . 10.3 mm -72.02 128.29 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.15 -47.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -134.8 143.38 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.735 HG22 ' HG2' ' A' ' 43' ' ' MET . 65.5 t -130.51 102.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' LEU . 32.6 m-85 -98.55 47.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.934 HG21 HG11 ' A' ' 80' ' ' VAL . 18.0 m -147.91 -171.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 175.13 -175.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.21 143.71 27.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.21 30.83 77.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' THR . 38.7 t0 -103.16 171.74 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.11 139.06 54.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.27 171.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.33 134.97 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.24 118.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.56 36.09 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.76 150.58 26.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -79.76 96.95 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 56' ' ' SER . 41.0 mt -70.37 -69.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.735 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.88 176.07 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 52' ' ' HIS . 77.8 t -127.96 122.16 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.696 ' O ' HD13 ' A' ' 46' ' ' ILE . 76.2 mtp -101.73 167.81 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 45' ' ' MET . 34.2 mm -127.5 99.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.5 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 mtt 50.26 26.88 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 24.63 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.483 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 2.9 ttt -143.17 150.57 39.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HA ' HD13 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -91.78 147.54 22.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.5 m-70 -134.05 160.09 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -112.11 103.28 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.422 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.9 105.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -78.98 148.65 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.682 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -62.98 141.99 97.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.98 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.26 -176.36 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.37 156.76 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.91 -162.08 29.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 34' ' ' ASP . 8.8 m -120.91 133.57 55.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.4 t -77.06 103.09 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -61.09 -54.11 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.74 178.29 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 66' ' ' PHE . 13.4 t -123.05 171.48 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 81.2 m-85 -122.95 -38.68 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -126.69 138.47 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 8.2 mtt-85 -113.46 -173.43 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -49.62 149.05 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.91 49.61 9.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 24' ' ' THR . . . -111.13 162.64 14.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -109.86 115.8 30.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.75 164.0 13.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.511 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.9 OUTLIER -118.18 168.45 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 22' ' ' THR . 3.2 ttp180 -63.61 114.69 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.45 68.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 74' ' ' ASN . 10.9 p -132.5 154.2 81.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 118.08 5.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 19' ' ' ALA . 8.4 mt -90.22 -57.63 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.934 HG11 HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -125.26 142.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.2 tt0 -101.18 117.71 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.73 155.27 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.14 18.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.559 1.82 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 76' ' ' HIS . 29.1 mt -86.1 153.67 21.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 79' ' ' LEU . . . -64.99 142.23 98.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.96 -33.07 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 ttt -174.46 157.27 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.4 m -57.87 105.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.0 -164.73 11.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' MET . 55.2 m -124.01 142.33 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.74 HD13 ' HG2' ' A' ' 45' ' ' MET . 13.2 mm -75.62 121.93 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 26' ' ' GLU . 6.0 tp10 -100.46 -51.92 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.34 147.11 52.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.629 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.8 t -131.3 100.24 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -97.64 49.43 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.2 m -147.64 -172.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.52 166.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 142.31 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.7 33.53 85.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.934 ' O ' HG23 ' A' ' 61' ' ' THR . 19.8 t0 -101.99 173.28 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.41 136.0 52.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.72 158.18 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.96 137.41 47.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.24 113.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.68 45.8 3.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.49 147.57 37.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -74.18 91.92 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 47.2 mt -64.78 -69.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.629 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -140.03 176.18 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 52' ' ' HIS . 73.4 t -126.12 128.06 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 25' ' ' ILE . 43.7 mtp -109.43 169.29 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -139.85 126.21 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.38 -82.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ptp -88.33 68.26 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mttm 42.74 33.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.15 150.51 51.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -95.89 123.72 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.4 m-70 -103.51 152.62 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -120.59 99.53 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 79' ' ' LEU . 2.1 mp -71.25 99.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -82.01 139.72 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.5 138.08 96.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 173.52 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.83 123.73 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.35 177.1 36.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 34' ' ' ASP . 16.7 m -113.48 105.99 14.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.9 t -43.69 115.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -75.47 -56.4 4.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -155.31 146.42 22.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 42.6 t -93.67 146.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -104.8 -39.69 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 73' ' ' ALA . 53.8 m-85 -113.6 141.69 46.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.1 mmt85 -112.74 -174.68 2.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.0 147.32 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 52.03 40.48 51.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -114.24 144.18 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -100.54 126.21 46.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 67' ' ' TYR . . . -131.71 160.24 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.403 ' HB2' HG21 ' A' ' 77' ' ' THR . 75.2 m-20 -100.32 167.71 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 49.7 ttt180 -78.06 147.79 34.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.89 ' O ' HD22 ' A' ' 18' ' ' LEU . 6.2 m80 90.68 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 77' ' ' THR . 34.3 p -57.49 148.28 55.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' A' ' 19' ' ' ALA . 43.2 mt -69.12 -55.44 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.11 159.29 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -112.61 120.68 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -77.92 155.12 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.02 161.52 38.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -118.83 135.44 54.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -52.61 144.15 25.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ptp -153.76 170.9 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 m -68.33 113.88 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.42 -160.57 9.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 45' ' ' MET . 56.4 m -124.39 141.21 52.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.823 HD13 ' HG2' ' A' ' 45' ' ' MET . 20.0 mm -74.74 107.54 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.59 -51.91 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' CG ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -132.51 170.88 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' A' ' 43' ' ' MET . 54.4 t -149.61 103.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.14 47.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 HG13 ' A' ' 28' ' ' VAL . 34.0 m -144.77 179.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 175.9 165.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.46 144.13 56.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.71 25.12 63.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 20.5 t70 -92.71 173.34 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -126.35 131.9 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.66 164.46 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 3.8 mttm -131.77 140.46 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.754 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -39.9 119.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.12 -39.75 2.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.14 142.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.42 104.63 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 56' ' ' SER . 81.2 mt -70.3 -67.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -142.3 176.46 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.22 131.09 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.823 ' HG2' HD13 ' A' ' 25' ' ' ILE . 68.5 mtp -115.54 168.94 9.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mt -142.01 113.91 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -109.79 -74.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 ptp -96.47 65.47 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 46.09 28.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.68 141.46 51.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.07 124.6 29.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 15.6 m-70 -106.21 146.85 29.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.668 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -115.5 96.94 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.56 99.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 126.41 30.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' HD11 ' A' ' 42' ' ' LEU . 13.8 t -48.38 145.17 5.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.7 6.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.432 1.753 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.754 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -170.79 161.14 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.65 153.16 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.7 172.83 35.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 61.3 m -103.75 103.67 13.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 40.4 t -44.72 109.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -68.16 -60.58 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 4.4 tttp -157.24 140.02 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 25.4 t -89.35 154.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.88 -32.07 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -114.65 145.61 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -129.3 -179.39 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -56.16 133.87 52.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.35 38.01 53.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.16 152.49 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 0.805 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -108.2 113.93 27.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.15 163.99 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.738 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -109.64 167.82 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -71.54 109.99 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.0 m80 85.35 57.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.738 HG21 ' HB2' ' A' ' 74' ' ' ASN . 13.7 p -127.47 152.8 77.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' A' ' 19' ' ' ALA . 49.3 mt -89.65 -54.45 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' HD2' ' A' ' 17' ' ' PRO . 8.0 m -130.25 153.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -118.69 123.89 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -79.33 155.29 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.31 42.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -119.43 129.3 54.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.935 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -50.77 147.14 8.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptp -146.68 167.48 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 m -59.62 109.19 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.37 -179.97 24.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 71' ' ' ALA . 55.2 m -116.64 132.97 56.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.732 HD13 ' CG ' ' A' ' 45' ' ' MET . 19.5 mm -67.89 104.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 18.1 tp10 -76.71 -50.89 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -121.91 162.04 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.918 HG22 ' SD ' ' A' ' 43' ' ' MET . 41.7 t -144.21 97.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 30' ' ' VAL . 27.9 m-85 -99.64 51.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG11 ' HB3' ' A' ' 42' ' ' LEU . 26.1 m -152.91 -173.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.36 -169.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.86 143.53 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.15 26.9 70.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.9 ' O ' HG23 ' A' ' 61' ' ' THR . 2.9 t0 -100.44 173.14 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -125.83 140.12 52.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.15 177.37 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -127.61 133.1 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.64 116.49 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.224 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.88 46.88 3.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -119.47 141.93 48.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 p -68.56 94.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' C ' ' HG2' ' A' ' 43' ' ' MET . 17.8 mt -69.67 -71.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.918 ' SD ' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -133.82 178.08 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.5 t -127.38 135.68 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.732 ' CG ' HD13 ' A' ' 25' ' ' ILE . 19.9 mtp -113.99 166.71 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 11.6 mm -136.14 108.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -113.4 -71.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -103.58 66.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.11 27.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mtp -125.91 149.17 48.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -92.0 114.31 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.527 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 6.2 m-70 -99.96 119.22 37.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -87.65 100.16 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 mp -71.34 97.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.98 144.48 31.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.4 t -64.94 139.83 97.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.83 7.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.86 175.7 12.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.73 148.27 30.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.31 21.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 34' ' ' ASP . 5.9 m -97.05 107.76 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 59.0 t -43.25 118.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -78.16 -57.39 3.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -154.42 149.93 27.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' ' HE1' ' A' ' 43' ' ' MET . 29.7 t -96.65 148.83 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -104.41 -29.21 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -132.49 138.72 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -114.65 -173.73 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -55.01 138.28 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.47 42.03 99.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 24' ' ' THR . . . -110.94 161.55 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.87 122.47 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.59 164.14 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.482 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -118.46 169.16 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -66.97 124.49 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.0 m170 71.15 57.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.647 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.482 HG21 ' CB ' ' A' ' 74' ' ' ASN . 47.2 p -127.94 151.89 76.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 125.02 9.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.935 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.4 mt -99.66 -56.08 2.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG21 HD13 ' A' ' 42' ' ' LEU . 1.2 m -130.21 150.77 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -111.83 147.74 35.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -102.01 154.97 18.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.27 35.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.12 140.55 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -58.54 141.9 83.38 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 -29.19 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.8 ttm -173.7 170.04 4.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -61.23 130.23 45.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.83 -162.52 17.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' ILE . 51.1 m -127.94 129.66 47.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.85 HD13 ' HG2' ' A' ' 45' ' ' MET . 32.2 mm -64.67 100.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 7.6 tp10 -71.76 -58.13 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.13 162.68 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.529 HG22 ' HG2' ' A' ' 43' ' ' MET . 37.4 t -141.59 97.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.86 49.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 28' ' ' VAL . 27.7 m -145.29 -170.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.31 -169.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.08 138.93 33.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.93 28.86 73.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.845 ' O ' HG23 ' A' ' 61' ' ' THR . 4.6 t0 -100.32 171.71 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -126.19 136.36 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.4 172.62 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -126.37 134.59 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.43 123.31 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.88 39.01 8.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -114.27 139.73 49.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -62.92 100.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 56' ' ' SER . 97.1 mt -75.69 -67.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.529 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.59 176.38 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLU . 95.8 t -123.51 130.57 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.85 ' HG2' HD13 ' A' ' 25' ' ' ILE . 4.5 mmm -118.33 162.75 17.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' THR . 6.2 mt -139.49 121.05 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.53 -86.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 mtm -94.93 71.47 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.57 45.53 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.0 mtm -141.88 146.48 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.54 122.23 33.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -108.29 140.49 41.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -118.31 96.18 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -78.88 97.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -78.7 151.35 32.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 42' ' ' LEU . 35.6 t -61.05 138.43 94.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -27.83 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.99 171.16 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 142.09 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.63 163.95 27.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 34' ' ' ASP . 3.1 m -104.4 108.38 19.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 69.3 t -43.88 127.26 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -91.0 -54.5 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -151.59 143.62 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.429 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 21.2 t -92.57 156.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 37.8 m-85 -112.37 -28.49 7.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -126.91 155.98 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.35 171.04 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.55 131.76 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.84 51.07 31.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -120.77 165.84 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -112.19 115.26 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.1 163.73 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.485 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -118.21 168.57 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 63.7 mtm180 -68.64 115.53 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 1.6 m-70 81.52 58.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 74' ' ' ASN . 20.9 p -128.82 153.22 79.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.99 130.78 13.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 54' ' ' ILE . 12.7 mt -100.66 -48.37 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.09 146.66 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -109.92 117.3 33.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -74.61 155.07 38.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.69 136.8 32.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 74' ' ' ASN . . . -45.76 136.44 6.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -75.04 -55.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' A' ' 22' ' ' THR . 26.4 ttt -137.36 163.14 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 75' ' ' ARG . 93.4 m -68.92 116.95 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.9 -164.46 14.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.0 m -124.81 136.67 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.87 HD13 ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -68.5 121.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -97.77 -51.35 4.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -129.96 148.0 51.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 43' ' ' MET . 35.3 t -129.83 97.79 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -93.4 48.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 28' ' ' VAL . 35.5 m -146.36 -178.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -179.56 175.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.1 145.79 37.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.6 26.03 61.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' THR . 8.7 t0 -93.28 173.14 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -125.97 132.26 52.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.55 163.32 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -128.6 133.43 48.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -40.18 115.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.2 34.04 5.77 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -112.73 144.48 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -72.16 97.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 56' ' ' SER . 50.5 mt -70.66 -68.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.619 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.16 176.16 8.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.2 t -127.07 127.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.87 ' HG2' HD13 ' A' ' 25' ' ' ILE . 79.1 mtp -110.27 169.17 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -134.4 121.89 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.07 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mtm -100.96 62.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.97 25.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.11 149.07 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.22 117.19 29.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -102.37 132.83 48.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -98.77 100.07 11.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 mp -72.6 96.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -79.54 136.84 36.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.54 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -61.34 144.93 91.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.37 5.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.671 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 1.9 pttt -161.87 173.33 14.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.72 150.03 36.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.19 172.38 39.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 63.8 m -103.63 101.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 77.5 t -43.44 114.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -71.83 -58.35 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.7 149.0 16.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 6.5 t -87.96 149.41 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 21.2 m-85 -107.22 -32.11 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -122.03 152.79 39.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -127.66 -179.59 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.38 136.08 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.88 33.97 65.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -122.21 139.49 53.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 0.805 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.64 146.49 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.54 157.85 45.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.771 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 5.0 t30 -89.1 169.82 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 1.5 mtm180 -77.76 7.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -147.74 61.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.56 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 1.8 p -143.04 148.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.03 130.59 13.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 mt -90.67 -47.26 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.412 HG23 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -137.87 130.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.7 tt0 -92.08 119.91 32.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.79 152.7 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.12 27.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -109.58 125.05 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.72 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -41.96 127.82 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.68 20.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.466 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 2.2 ptp -166.94 163.92 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.6 m -75.35 112.53 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.06 -171.51 19.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 16.8 m -116.36 150.7 37.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.66 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.6 mm -80.58 128.28 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 5.6 tp10 -107.03 -44.4 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.22 146.79 43.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.643 HG22 ' HG2' ' A' ' 43' ' ' MET . 37.6 t -130.57 97.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -95.28 49.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 27.7 m -148.67 -168.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.18 -169.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.68 142.01 29.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.55 24.01 72.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 61' ' ' THR . 3.3 t0 -97.51 171.92 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.766 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.13 134.07 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 m -132.65 178.99 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -132.55 135.97 46.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.14 124.37 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.18 42.05 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.84 147.99 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -72.96 88.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 95.5 mt -67.34 -67.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.643 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.97 176.53 8.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.41 125.01 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.66 ' HG2' HD13 ' A' ' 25' ' ' ILE . 83.6 mtp -106.16 168.27 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.894 HD13 ' HA ' ' A' ' 51' ' ' GLU . 19.9 mm -134.06 127.37 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.42 -95.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.43 ' C ' ' N ' ' A' ' 50' ' ' MET . 14.5 mtt -73.43 72.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' MET . 16.1 mmtt 40.37 29.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 1.5 ttt -138.84 152.62 47.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.894 ' HA ' HD13 ' A' ' 46' ' ' ILE . 1.9 pt-20 -101.83 137.36 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.476 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 2.0 m-70 -124.79 136.38 53.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -84.97 113.71 21.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 45' ' ' MET . 5.5 mm -71.74 100.78 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 142.76 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.433 ' OG ' HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -67.96 141.99 94.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.06 -32.13 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -160.26 -173.84 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.21 150.02 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.49 164.64 17.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.855 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.9 m -98.45 107.74 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 60.7 t -43.31 120.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -81.31 -56.95 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -153.45 149.72 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.5 HG22 HG12 ' A' ' 80' ' ' VAL . 46.3 t -97.92 149.38 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.61 -37.83 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 71.8 m-85 -115.86 147.79 40.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -125.62 -178.3 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.6 135.94 50.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.31 38.65 91.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.22 142.83 44.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -94.15 108.87 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -100.59 162.08 13.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.473 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.6 t30 -117.79 168.11 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 21' ' ' MET . 8.5 ttt180 -70.91 119.72 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HG2' ' A' ' 75' ' ' ARG . 5.6 m170 80.83 50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 74' ' ' ASN . 48.5 p -124.84 152.56 69.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.48 6.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 19' ' ' ALA . 24.6 mt -93.82 -54.61 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 65' ' ' VAL . 1.9 m -137.91 149.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.19 153.15 21.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -107.91 155.07 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.02 128.46 11.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.37 132.26 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.93 145.11 65.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -30.03 7.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.772 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' THR . 3.9 ttt -178.34 161.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 73' ' ' ALA . 36.3 m -57.97 109.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.49 -154.43 6.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.7 m -131.92 132.46 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.7 HD13 ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -73.69 115.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.74 -53.11 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -131.43 154.71 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 43' ' ' MET . 53.5 t -136.57 100.68 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.99 50.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -149.13 -177.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.05 167.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 145.6 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.05 20.35 60.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 22.8 t0 -92.6 168.27 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HD3' HG23 ' A' ' 61' ' ' THR . 2.2 mmtp -123.22 133.18 54.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.95 176.93 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 2.1 mttt -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.84 117.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.0 31.81 14.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.44 147.22 26.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -70.08 87.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 56' ' ' SER . 81.5 mt -65.37 -68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.453 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.12 176.52 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.54 122.46 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.7 ' HG2' HD13 ' A' ' 25' ' ' ILE . 70.5 mtp -105.71 169.39 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -140.14 101.52 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -131.42 165.19 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 50.61 24.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt 67.76 17.82 9.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.469 ' O ' ' CE1' ' A' ' 52' ' ' HIS . 16.8 tpp -128.4 145.6 51.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.19 146.12 37.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.524 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.5 m-70 -133.99 160.07 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -118.78 107.77 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 45' ' ' MET . 9.8 mm -75.01 98.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -88.35 156.73 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.2 t -79.8 136.95 54.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.79 7.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -161.63 169.23 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.99 148.93 29.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.69 165.72 24.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 45.9 m -87.95 107.8 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.2 t -45.85 108.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -65.52 -59.18 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -163.13 148.52 11.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 80' ' ' VAL . 4.0 t -95.8 140.05 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 49.1 m-85 -96.86 -26.99 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 79.1 m-85 -119.51 148.93 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -125.75 -173.16 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.51 147.29 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 45.2 56.51 6.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.82 167.83 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -104.67 113.55 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 22' ' ' THR . . . -89.82 163.8 14.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.564 ' HB2' HG21 ' A' ' 77' ' ' THR . 5.4 m-20 -117.15 168.44 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp85 -83.27 93.95 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.4 m170 88.7 70.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -140.12 153.94 69.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.94 106.61 2.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD13 HG21 ' A' ' 54' ' ' ILE . 29.2 mt -72.3 -51.75 19.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.454 HG23 ' CD ' ' A' ' 17' ' ' PRO . 2.5 m -130.06 163.73 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.1 tt0 -124.84 127.19 46.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -83.58 154.15 23.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' ALA . 63.5 mt -100.07 115.44 29.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -40.28 143.78 0.61 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.98 -41.14 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -147.57 179.08 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 73' ' ' ALA . 7.5 m -84.68 113.03 21.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.61 -165.45 11.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ILE . 40.6 m -120.0 142.97 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.705 HD13 ' HG2' ' A' ' 45' ' ' MET . 18.6 mm -75.0 122.18 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -97.99 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -136.22 146.27 46.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG22 ' HG2' ' A' ' 43' ' ' MET . 25.2 t -128.09 99.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.06 50.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.6 m -148.55 -178.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 179.88 174.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 146.23 39.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.75 21.71 58.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' THR . 9.0 t0 -90.46 171.31 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HD3' HG23 ' A' ' 61' ' ' THR . 2.9 mmtp -126.22 133.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.496 HG11 ' CD2' ' A' ' 42' ' ' LEU . 14.3 m -135.4 168.75 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -127.94 135.79 50.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.98 118.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.77 36.9 7.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.49 145.95 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -69.79 87.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD2' HG11 ' A' ' 36' ' ' VAL . 96.5 mt -67.11 -68.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.511 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.27 176.32 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.2 t -124.26 133.86 68.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.705 ' HG2' HD13 ' A' ' 25' ' ' ILE . 68.1 mtp -115.79 169.11 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.808 HD13 ' HA ' ' A' ' 51' ' ' GLU . 14.7 mm -140.28 107.85 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -108.66 -99.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 50' ' ' MET . 7.1 mtp -66.85 68.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.1 mmtt 39.94 30.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 48' ' ' MET . 1.5 mtt -130.9 158.22 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.808 ' HA ' HD13 ' A' ' 46' ' ' ILE . 5.6 tt0 -97.64 138.32 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -130.4 150.34 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 m -105.53 111.31 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.0 mm -71.6 97.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.85 134.99 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -62.0 142.79 95.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -33.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -163.99 168.94 18.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.13 146.68 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.26 -171.63 44.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 52.6 m -113.25 103.31 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 75.5 t -42.95 118.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -76.24 -57.4 3.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -162.35 141.34 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' CG1' ' A' ' 80' ' ' VAL . 3.9 t -90.31 137.99 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -99.92 -24.3 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 65' ' ' VAL . 51.1 m-85 -120.37 144.59 47.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.409 ' HA ' HG21 ' A' ' 28' ' ' VAL . 4.7 mmt180 -127.81 -179.25 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.05 129.21 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.25 28.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.06 139.58 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -89.17 111.67 22.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 22' ' ' THR . . . -105.89 164.49 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.427 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -118.57 169.63 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 22' ' ' THR . 17.4 mtm180 -66.72 124.42 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 66.87 63.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.427 HG21 ' CB ' ' A' ' 74' ' ' ASN . 18.4 p -128.45 152.05 77.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.86 4.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 19' ' ' ALA . 48.9 mt -89.94 -51.84 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.514 ' CG1' HG13 ' A' ' 65' ' ' VAL . 2.6 m -133.5 164.33 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 118.26 25.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -77.71 153.05 33.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 162.9 36.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.3 mt -122.76 127.18 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . . . -47.01 136.57 8.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.99 -17.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.809 . . . . 0.0 110.977 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.409 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER 178.61 159.88 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m -57.93 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.11 -170.62 16.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.6 m -122.91 136.52 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.649 HD13 ' CG ' ' A' ' 45' ' ' MET . 27.9 mm -72.04 104.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.9 tp10 -74.36 -43.09 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.77 164.11 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.911 HG22 ' SD ' ' A' ' 43' ' ' MET . 44.8 t -144.54 96.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.88 50.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG21 HG11 ' A' ' 80' ' ' VAL . 31.3 m -151.22 -176.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.58 -167.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.3 142.37 27.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.21 20.76 69.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.749 ' O ' HG23 ' A' ' 61' ' ' THR . 0.6 OUTLIER -95.33 161.6 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 142.91 46.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.64 159.99 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -108.09 134.45 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.12 113.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.41 44.41 2.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.54 143.72 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -71.19 84.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' C ' ' HG2' ' A' ' 43' ' ' MET . 61.7 mt -57.88 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.911 ' SD ' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.39 178.23 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 92.6 t -125.79 132.87 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.649 ' CG ' HD13 ' A' ' 25' ' ' ILE . 4.2 mtp -112.31 164.89 12.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 10.4 mm -136.56 111.74 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.28 -73.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mtp -96.59 62.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 45.51 26.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 mmm -125.48 151.09 46.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -86.37 121.36 28.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.471 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 4.8 m-70 -107.84 117.43 34.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.623 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -90.48 98.54 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.5 mp -71.06 94.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -80.16 139.53 36.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.79 140.61 85.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.03 14.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -164.91 -179.85 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -86.92 139.45 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.29 165.15 31.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 34' ' ' ASP . 49.3 m -97.44 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.6 t -44.48 119.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -73.4 -56.72 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -152.96 168.51 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.67 HG13 HG12 ' A' ' 80' ' ' VAL . 3.5 t -122.89 134.51 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 47.1 m-85 -116.88 25.58 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 56.2 m-85 -158.27 141.18 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -130.54 -174.24 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -59.58 126.11 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.15 41.68 38.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.44 138.46 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.35 121.09 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.96 163.09 17.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.422 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.4 OUTLIER -118.36 168.04 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp180 -70.57 120.03 15.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER 81.14 51.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 45.6 p -125.96 145.0 50.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.97 108.51 2.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.435 1.755 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.54 -45.1 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG12 HG13 ' A' ' 65' ' ' VAL . 4.5 m -137.93 167.55 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -123.84 155.3 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -112.55 151.95 29.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.757 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 76' ' ' HIS . 10.7 mt -68.2 155.92 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 74' ' ' ASN . . . -60.06 139.18 91.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -28.22 9.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.77 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.425 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 10.5 ttm -169.68 153.27 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 m -57.95 105.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.84 -169.36 17.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' ILE . 94.1 m -118.62 146.52 44.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 110.445 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.745 HD13 ' HG2' ' A' ' 45' ' ' MET . 15.5 mm -73.39 122.99 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -99.5 -51.02 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.41 148.94 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.588 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.5 t -130.05 100.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -99.22 50.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.756 HG21 HG11 ' A' ' 80' ' ' VAL . 31.3 m -149.13 -175.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -175.66 -166.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.14 148.75 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 61.5 21.14 59.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' OD1' ' CE ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -95.81 168.03 10.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -126.01 127.82 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.02 158.49 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.08 135.25 50.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.77 113.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.49 46.05 2.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.99 141.25 48.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -67.63 91.15 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.589 HD11 ' HA ' ' A' ' 56' ' ' SER . 67.6 mt -63.71 -71.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.588 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -140.34 176.43 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.8 t -125.83 132.58 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.745 ' HG2' HD13 ' A' ' 25' ' ' ILE . 75.3 mtp -114.78 168.81 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.6 mm -134.52 122.02 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -125.84 -73.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -103.05 63.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 47.05 28.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -127.22 147.11 50.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -90.26 114.92 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' HIS . . . . . 0.522 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.2 m-70 -98.98 120.43 39.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -90.29 100.41 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -71.59 99.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -82.06 137.62 35.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.589 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -57.37 143.19 74.65 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.69 5.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 -173.62 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.32 137.81 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.53 -176.67 48.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 34' ' ' ASP . 15.3 m -108.19 123.14 48.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 95.5 t -68.9 109.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -67.98 -46.0 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.4 177.95 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 66' ' ' PHE . 6.0 t -115.71 172.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.56 ' H ' HG12 ' A' ' 65' ' ' VAL . 39.8 m-85 -122.32 -38.68 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 54.3 m-85 -127.16 153.46 46.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 8.3 mtt-85 -122.95 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -54.07 146.51 14.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.43 44.82 77.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -122.06 155.7 35.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -110.38 136.54 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.413 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . . . -142.42 127.93 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m-20 -69.34 158.53 34.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CG ' ' HA ' ' A' ' 21' ' ' MET . 20.5 ttp-105 -69.87 60.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' HIS . . . . . 0.49 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -174.13 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.633 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.4 p -59.09 150.73 60.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.547 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 152.76 41.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 19' ' ' ALA . 3.5 mt -106.03 -53.87 2.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.756 HG11 HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.99 140.72 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.1 tt0 -96.37 124.41 40.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.97 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 130.91 13.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.58 117.76 28.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -42.55 148.44 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.78 6.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.418 ' CG ' ' N ' ' A' ' 22' ' ' THR . 11.3 ttp -179.18 156.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 73' ' ' ALA . 58.6 m -58.0 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -136.51 -156.85 7.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' MET . 26.4 m -124.1 131.85 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ILE . . . . . 0.687 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.5 mm -71.72 113.75 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.24 -53.07 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -131.62 157.07 44.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.548 HG22 ' HG2' ' A' ' 43' ' ' MET . 28.0 t -137.86 98.39 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.54 51.27 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 30.9 m -150.4 -175.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.99 -165.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -99.08 143.38 29.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.52 26.48 69.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 61' ' ' THR . 0.4 OUTLIER -100.7 157.39 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 132.41 56.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.94 162.32 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 133.94 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.49 113.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.87 42.59 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.99 144.48 38.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -71.1 83.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 62.9 mt -54.28 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' MET . . . . . 0.548 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.96 176.41 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.3 t -126.0 132.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' MET . . . . . 0.687 ' HG2' HD13 ' A' ' 25' ' ' ILE . 85.7 mtp -117.17 166.04 12.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 51' ' ' GLU . 15.0 mm -139.09 106.94 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.66 -98.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.438 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -93.83 87.12 5.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 29.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mmt -128.52 150.82 50.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.702 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.8 tt0 -105.36 139.45 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.74 133.53 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -99.75 101.47 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.9 mp -71.11 95.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.77 151.16 28.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.485 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -66.2 140.52 96.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.957 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -31.06 6.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -161.39 172.74 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.52 120.74 23.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.95 169.36 37.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 2.2 m -104.27 104.51 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.0 t -44.89 116.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -74.19 -56.37 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -157.79 147.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 11.7 t -95.9 145.85 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -106.25 -25.98 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' TYR . . . . . 0.493 ' CD1' ' HA ' ' A' ' 79' ' ' LEU . 51.9 m-85 -118.85 152.02 37.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -131.74 -177.28 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -53.9 144.66 18.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.23 53.42 27.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -121.32 159.07 26.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -95.3 111.21 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.881 ' O ' HG23 ' A' ' 22' ' ' THR . . . -85.79 164.3 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASN . . . . . 0.602 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.5 OUTLIER -114.18 168.95 9.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -81.45 99.6 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 73.81 75.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . 0.602 HG21 ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -139.59 153.76 70.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.08 95.2 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 5.6 mt -71.67 -59.03 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.6 148.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.34 142.4 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -102.31 153.72 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -154.83 153.21 30.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.74 105.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.63 174.17 49.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.434 1.084 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.8 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 68.65 158.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.2 75.94 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -164.12 158.87 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -98.73 -38.77 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 m -144.91 -81.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -150.83 103.85 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -46.45 -52.09 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.446 ' HB ' HD11 ' A' ' 18' ' ' LEU . 9.2 t -139.73 166.28 25.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.443 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -174.77 125.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.346 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.24 84.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.32 145.45 4.74 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -74.96 174.8 12.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD11 ' HB ' ' A' ' 13' ' ' THR . 56.1 mt -134.33 126.37 29.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.72 148.78 2.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.51 176.3 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -65.61 109.0 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.81 -168.11 13.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 96.6 m -127.07 134.57 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.677 HD13 ' CG ' ' A' ' 45' ' ' MET . 32.6 mm -68.16 115.29 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 22.4 tp10 -88.49 -49.37 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -132.35 160.64 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.563 HG22 ' HG2' ' A' ' 43' ' ' MET . 53.9 t -141.48 104.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.51 50.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.8 m -149.39 -175.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.25 166.06 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.74 148.86 48.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.13 27.37 59.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 25.6 t0 -98.05 173.05 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -126.05 127.85 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -127.08 174.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.2 mttm -132.57 133.56 43.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.13 120.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.44 39.07 7.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.72 148.82 32.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.5 OUTLIER -73.35 96.46 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.48 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 90.7 mt -73.02 -67.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.563 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.38 176.15 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -124.85 132.67 71.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.677 ' CG ' HD13 ' A' ' 25' ' ' ILE . 5.8 mtp -113.96 165.18 12.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 12.3 mm -137.72 109.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.424 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.57 -79.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.55 54.63 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttm 49.99 23.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.8 ttp -123.44 149.84 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -84.21 116.1 22.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' HD12 ' A' ' 54' ' ' ILE . 3.8 m-70 -106.71 100.82 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.441 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 81.5 m -74.23 101.56 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 52' ' ' HIS . 1.4 mp -70.95 96.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 145.98 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.406 ' OG ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -70.24 139.55 87.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 18.4 Cg_endo -75.0 -30.65 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -154.08 -176.37 5.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.93 153.84 18.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.92 172.16 32.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 77.6 m -93.21 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 53.9 t -44.11 118.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -75.7 -52.84 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.34 146.45 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.88 HG13 ' CG1' ' A' ' 80' ' ' VAL . 2.4 t -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 49.6 m-85 -106.57 25.18 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 28.8 m-85 -157.52 149.39 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -140.51 -176.05 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.89 129.55 42.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.52 32.39 51.21 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . . . -100.49 152.43 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -110.2 115.81 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . . . -107.54 164.21 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.527 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.5 t30 -117.62 168.03 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 117.97 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 71.7 64.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.527 HG21 ' CB ' ' A' ' 74' ' ' ASN . 23.5 p -130.54 153.79 81.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.31 7.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.92 -48.3 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.88 ' CG1' HG13 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -139.12 152.65 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.06 131.24 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.78 153.28 23.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.1 154.18 41.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -46.61 128.16 10.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.59 136.74 42.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -131.04 149.24 52.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 49.88 89.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 177.71 97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.9 116.36 31.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 164.76 12.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.98 159.36 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.36 164.51 34.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -149.9 141.0 23.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.5 p -130.06 163.33 26.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.88 166.19 30.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.19 42.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.0 p -121.52 151.41 40.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.82 -58.48 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -174.83 87.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.803 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.79 -62.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.87 -119.36 6.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -81.07 124.25 29.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -114.99 -56.36 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.31 101.82 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.45 146.87 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -170.31 -58.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.968 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t 65.34 82.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -116.1 156.3 26.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.37 136.58 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -142.0 137.66 31.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -154.45 58.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.31 93.01 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.97 173.05 48.17 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -74.93 168.0 25.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -126.6 127.41 45.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -48.64 145.18 6.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.84 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.7 167.72 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -73.87 105.15 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.24 -155.62 6.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 55.3 m -127.23 145.93 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.699 HD13 ' HG2' ' A' ' 45' ' ' MET . 8.5 mm -75.67 120.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -96.01 -48.42 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -136.0 156.47 48.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.7 t -137.47 100.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -100.21 50.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 29.2 m -149.69 -174.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.83 -165.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.24 145.36 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.11 25.7 66.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -100.38 158.6 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 132.65 56.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.37 161.9 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 134.17 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.55 114.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.91 3.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.06 143.19 42.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 p -68.74 91.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 56' ' ' SER . 33.8 mt -62.67 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.591 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.31 176.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -126.6 129.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.699 ' HG2' HD13 ' A' ' 25' ' ' ILE . 72.2 mtp -111.96 169.28 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mm -135.38 121.96 33.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.55 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -122.23 -72.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' MET . 4.0 mtt -109.13 74.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.39 31.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.401 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.9 mmt -131.42 148.3 52.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -95.23 120.37 35.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.55 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.7 m-70 -102.41 128.14 49.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -97.22 98.87 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 54' ' ' ILE . 2.3 mp -70.99 94.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -79.99 136.73 36.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.602 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.06 141.48 76.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.45 10.97 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -165.8 173.41 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.97 128.57 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.93 161.56 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 6.3 m -96.79 103.73 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 62.6 t -44.24 119.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -79.24 -56.04 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.14 143.22 16.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.537 HG13 HG12 ' A' ' 80' ' ' VAL . 10.6 t -92.19 150.52 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -108.72 -29.63 8.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -118.68 143.54 46.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -123.08 -175.3 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.18 136.42 52.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.26 49.31 71.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . . . -118.4 149.62 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -98.21 112.45 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.83 164.08 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.737 ' HB2' HG21 ' A' ' 77' ' ' THR . 3.3 m-80 -114.12 167.7 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 24.7 ttp180 -70.5 112.18 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.6 m170 80.86 60.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 74' ' ' ASN . 8.1 p -127.63 152.85 77.39 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 19' ' ' ALA . 51.6 mt -81.13 -52.21 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.537 HG12 HG13 ' A' ' 65' ' ' VAL . 4.3 m -130.24 161.08 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.97 128.97 53.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -83.5 155.04 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.99 170.0 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.21 99.0 2.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -177.48 4.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.11 172.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.68 -57.43 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -117.69 91.95 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.83 175.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.1 169.75 13.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -41.24 -56.32 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.29 170.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.98 76.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -123.09 167.19 13.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.78 157.24 22.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.24 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.0 m 64.79 133.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.1 t -171.28 78.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -127.89 170.23 13.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.746 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -111.46 169.33 8.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.68 107.77 0.45 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.84 164.94 24.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.051 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.69 158.92 22.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.85 118.66 13.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.7 t -83.89 114.93 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -161.31 162.77 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m 61.14 162.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.946 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -52.1 -61.27 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 62.07 141.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.2 m -145.82 131.55 18.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.363 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -155.53 130.14 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -136.62 78.35 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.28 -176.9 20.6 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.1 35.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 86.9 mt -123.56 141.55 51.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -53.69 138.83 51.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.98 -36.22 2.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.448 1.762 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.5 ttt -161.66 172.6 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.0 m -70.52 123.3 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.1 -157.35 9.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' SD ' ' A' ' 45' ' ' MET . 60.0 m -133.04 129.66 38.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.939 HD13 ' HG2' ' A' ' 45' ' ' MET . 14.3 mm -63.65 101.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.5 tp10 -67.15 -52.11 45.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 172.65 12.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG22 ' HG2' ' A' ' 43' ' ' MET . 47.3 t -149.22 100.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -98.93 51.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 80' ' ' VAL . 27.5 m -149.4 -173.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.28 -164.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -102.13 143.15 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.74 25.79 70.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.917 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -98.47 169.89 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 129.8 49.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.41 174.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.15 135.97 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.38 122.97 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 45.14 6.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -121.63 137.55 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -62.51 103.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 56' ' ' SER . 83.1 mt -79.89 -67.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.505 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.27 176.19 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.2 t -124.73 137.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.939 ' HG2' HD13 ' A' ' 25' ' ' ILE . 7.9 mmm -122.81 162.07 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.85 113.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -112.37 -69.19 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.426 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -113.17 76.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.06 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -130.96 146.95 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.25 123.88 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.463 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.4 m-70 -110.4 109.64 20.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 m -83.33 97.39 8.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.9 mp -71.39 94.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -81.04 143.99 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.481 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -58.81 137.79 86.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.98 13.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -165.08 178.87 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.48 152.16 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.93 172.17 32.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.917 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.6 m -114.4 106.56 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.3 t -43.32 122.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -85.54 -56.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -149.46 141.87 24.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 66' ' ' PHE . 43.9 t -93.17 163.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 61.0 m-85 -120.41 -37.23 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 42.3 m-85 -125.1 138.77 54.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -114.88 -169.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 131.78 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.59 30.99 61.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.55 152.69 20.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -105.81 113.01 26.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.52 162.5 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.0 OUTLIER -118.15 168.42 10.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -69.13 121.25 16.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 7.5 m170 78.84 51.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 74' ' ' ASN . 72.8 p -126.92 156.24 74.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 129.66 12.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 19' ' ' ALA . 10.3 mt -100.6 -54.08 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG11 HG21 ' A' ' 30' ' ' VAL . 1.3 m -140.94 148.8 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.82 139.29 41.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -96.72 153.75 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.17 165.53 24.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.06 101.07 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -48.82 172.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -127.3 -47.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.25 151.26 38.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -111.86 -12.27 13.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt 57.3 166.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -90.2 128.76 36.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.38 144.45 30.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.73 156.67 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -179.49 154.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 m -94.65 168.81 10.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.71 149.87 18.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.64 2.01 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 t -122.6 161.87 22.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 p -42.25 162.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -156.2 168.22 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.2 158.79 16.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.04 -172.93 20.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 60.38 163.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.949 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -149.59 136.36 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 -153.2 52.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.1 m -117.65 96.37 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -178.66 135.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.58 140.77 56.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.59 98.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -139.4 114.52 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -54.44 146.93 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -177.0 124.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.47 -46.3 0.52 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.04 -174.66 19.31 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.01 139.39 24.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -103.45 136.02 43.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -55.86 147.29 43.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ptp -148.87 -179.53 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.3 m -73.87 121.32 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.0 -156.57 8.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -133.0 146.33 51.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.703 HD13 ' HG2' ' A' ' 45' ' ' MET . 10.5 mm -77.34 118.05 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -93.13 -47.89 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -134.61 150.52 50.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.678 HG22 ' HG2' ' A' ' 43' ' ' MET . 20.8 t -134.47 93.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -90.31 46.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG22 HG13 ' A' ' 28' ' ' VAL . 26.9 m -146.95 -176.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.0 166.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.76 145.32 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.75 31.61 72.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 61' ' ' THR . 17.5 t0 -103.26 173.87 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -124.01 131.56 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 60' ' ' GLY . 13.1 m -138.68 170.32 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -134.05 137.41 44.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.62 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -39.87 124.77 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.59 -42.36 1.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.7 142.83 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -76.65 100.83 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' ' 56' ' ' SER . 81.5 mt -64.15 -68.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.678 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.96 176.34 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 52' ' ' HIS . 73.0 t -127.67 131.67 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.703 ' HG2' HD13 ' A' ' 25' ' ' ILE . 74.1 mtp -112.63 169.12 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 17.1 mm -132.19 100.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -131.77 170.72 14.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.5 26.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 59.21 38.79 23.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.5 mmt -146.41 164.58 31.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -87.35 139.6 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.534 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.0 m-70 -133.98 144.62 48.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.4 m -117.8 100.83 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.97 101.6 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -81.21 147.04 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.606 ' HB2' HD21 ' A' ' 42' ' ' LEU . 44.7 t -65.14 141.24 98.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -164.39 161.43 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.61 144.59 56.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLY . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . . . 172.41 162.75 25.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.0 m -95.75 103.82 15.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 81' ' ' GLU . 42.0 t -42.93 119.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -79.91 -53.25 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -157.11 146.15 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.798 HG13 HG12 ' A' ' 80' ' ' VAL . 2.6 t -93.74 149.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -105.61 -28.39 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -135.26 140.07 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 2.7 mtt180 -120.23 179.93 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.26 130.29 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.05 -21.98 31.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -62.02 153.18 30.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -115.32 114.95 25.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.84 164.05 13.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.73 168.85 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.06 117.9 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 m170 68.69 71.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.1 p -137.35 155.72 75.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 19' ' ' ALA . 13.1 mt -91.1 -56.27 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.798 HG12 HG13 ' A' ' 65' ' ' VAL . 4.1 m -137.46 158.0 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 3.4 tm-20 -115.06 149.32 37.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -106.44 154.96 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.84 164.64 25.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.17 104.67 6.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.77 132.77 34.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.36 153.96 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -157.53 79.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -70.03 97.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.32 152.79 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.54 99.85 3.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -119.46 171.15 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.55 94.92 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.39 147.27 48.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.354 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.0 p -105.79 162.38 13.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.057 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.74 157.27 15.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.39 29.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.59 -62.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.61 168.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p 50.32 82.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.55 139.81 51.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.0 -66.36 1.08 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.27 152.75 21.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -122.73 89.66 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.08 68.1 1.77 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -139.72 110.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.5 t -119.73 -57.01 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 -58.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 53.83 89.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 13' ' ' THR . 7.3 pt-20 -118.76 -44.56 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.448 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 99.2 m -121.8 142.98 49.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -161.78 159.77 27.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 175.25 -89.76 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.58 -145.22 15.86 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.98 145.2 31.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -106.65 130.6 54.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.708 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -48.93 145.43 6.43 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.96 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.76 -178.16 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.2 m -82.24 105.92 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -143.13 -165.73 10.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' MET . 37.1 m -120.61 142.78 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.726 HD13 ' HG2' ' A' ' 45' ' ' MET . 14.7 mm -72.47 116.62 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.54 -49.0 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.1 154.13 51.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 43' ' ' MET . 48.2 t -135.33 102.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -100.18 51.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 42' ' ' LEU . 33.4 m -152.18 -177.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.96 -178.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.06 144.52 29.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.87 24.62 64.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' THR . 4.8 t0 -93.31 172.19 8.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HD3' HG23 ' A' ' 61' ' ' THR . 6.0 mmtp -126.37 129.66 49.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.19 170.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -129.42 135.85 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.01 120.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.11 47.67 5.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -121.66 139.56 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -66.28 97.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 56' ' ' SER . 20.7 mt -73.1 -65.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.489 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.92 176.25 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.2 t -126.78 132.07 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.726 ' HG2' HD13 ' A' ' 25' ' ' ILE . 70.9 mtp -115.49 169.15 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.7 mm -136.41 113.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.17 -72.16 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmm -99.9 60.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt 47.59 25.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -125.42 146.86 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -85.88 119.86 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.5 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.9 m-70 -104.07 129.01 51.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 m -98.19 100.33 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.456 ' O ' HG22 ' A' ' 54' ' ' ILE . 2.1 mp -73.63 95.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -80.17 142.99 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -65.89 139.75 96.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -26.58 10.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -164.33 165.12 22.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.56 142.96 40.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.66 175.34 46.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 97.4 m -102.84 100.23 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.747 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 90.2 t -42.82 111.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.76 -59.45 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.06 144.2 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 80' ' ' VAL . 14.7 t -92.09 148.61 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.47 -27.63 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -119.91 148.48 43.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -131.19 179.25 6.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -53.35 135.99 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.8 80.46 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -119.89 150.09 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.35 112.24 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.66 164.04 11.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.679 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -112.11 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -66.35 111.73 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.72 67.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.679 HG21 ' HB2' ' A' ' 74' ' ' ASN . 2.2 p -127.31 155.59 76.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 19' ' ' ALA . 21.0 mt -91.66 -53.24 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 65' ' ' VAL . 4.9 m -129.31 150.73 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -117.11 123.6 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.2 153.27 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.01 157.52 38.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 38.49 81.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 154.46 41.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 71.22 147.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.6 m -54.37 155.66 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.41 91.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.41 150.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -79.77 151.1 30.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -74.73 103.18 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.1 m -73.74 91.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.31 147.83 44.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.2 m -59.3 159.56 7.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.1 -151.49 12.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.437 1.756 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.1 t -111.17 172.63 6.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.81 -91.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.538 1.148 . . . . 0.0 110.98 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -157.9 132.57 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -90.46 136.35 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.54 -170.57 35.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.67 124.23 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.73 124.25 7.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.75 116.77 1.95 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.16 53.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -139.08 146.25 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.1 p -156.93 108.55 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.87 152.71 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -89.25 84.72 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -106.36 142.35 36.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.03 60.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -119.35 -68.57 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.56 -167.75 23.62 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -74.95 152.29 40.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 96.8 mt -110.36 137.73 47.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -54.75 152.02 13.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.62 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.456 1.766 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.5 ttt -159.34 168.41 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 m -57.81 110.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.16 -163.01 11.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -125.37 147.52 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 ' HG2' ' A' ' 45' ' ' MET . 9.4 mm -77.16 122.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -95.65 -50.43 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -135.48 152.87 51.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.559 HG22 ' HG2' ' A' ' 43' ' ' MET . 54.2 t -136.37 103.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.67 50.77 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 35.3 m -151.25 -174.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.57 174.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.24 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.29 68.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 43.6 t0 -94.83 173.48 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.7 130.96 52.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.1 163.9 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 38' ' ' ALA . 7.5 mttt -123.92 133.69 53.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.18 113.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.08 39.47 4.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.85 145.07 40.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -74.85 83.81 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 56' ' ' SER . 22.0 mt -56.96 -67.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.559 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.78 176.17 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.24 129.34 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.751 ' HG2' HD13 ' A' ' 25' ' ' ILE . 62.9 mtp -112.92 168.98 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -130.34 100.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -132.82 168.87 17.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 45.8 24.23 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.39 34.03 18.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.4 mmm -142.13 169.76 16.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.67 138.54 32.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.471 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 2.9 m-70 -134.15 148.08 50.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 m -117.93 104.45 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 54' ' ' ILE . 2.1 mp -74.2 96.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -79.38 149.68 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.603 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -68.2 137.52 91.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.23 11.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -165.61 166.07 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.44 143.65 34.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -180.0 -169.19 39.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 99.8 m -115.22 100.57 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.9 t -44.25 100.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.7 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.26 146.32 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 80' ' ' VAL . 19.4 t -95.58 144.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.61 -31.26 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.3 140.9 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -121.31 -174.32 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.52 137.83 52.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.9 47.03 92.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.82 146.03 43.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.21 113.19 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB3' ' CE ' ' A' ' 45' ' ' MET . . . -103.84 164.41 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.747 ' HB2' HG21 ' A' ' 77' ' ' THR . 1.2 m120 -117.94 168.6 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 116.94 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 66.93 70.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.554 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.747 HG21 ' HB2' ' A' ' 74' ' ' ASN . 1.9 p -128.73 153.39 79.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.57 2.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 19' ' ' ALA . 81.0 mt -83.15 -59.68 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.486 HG23 ' HD2' ' A' ' 17' ' ' PRO . 15.5 m -124.29 160.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.63 121.42 35.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.72 153.55 32.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.05 165.03 21.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.02 131.22 45.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.42 153.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -139.36 -52.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.74 95.47 4.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -115.86 94.77 4.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 76.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.3 mtm105 -42.92 132.46 3.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.248 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.68 149.89 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -115.87 132.57 56.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -140.37 126.12 19.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -124.74 161.48 26.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 146.05 86.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.4 11.28 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.6 p -175.0 132.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.6 m -133.02 162.98 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -133.38 169.33 17.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 p -133.41 153.91 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.79 -96.51 0.28 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.15 -74.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 m -67.94 155.6 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.02 -92.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.1 t -137.9 100.67 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -123.58 125.17 44.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.4 p 48.37 83.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -120.2 88.46 2.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -171.89 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.235 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -150.41 158.97 44.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.68 159.14 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.41 -66.02 0.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.42 -173.47 44.62 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.38 38.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -120.88 136.7 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -55.42 144.03 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -45.15 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -154.6 160.24 41.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 73' ' ' ALA . 90.8 m -61.62 106.71 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.27 -162.1 8.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ILE . 56.5 m -124.38 138.03 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.716 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.2 mm -69.1 126.07 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.2 -50.23 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -136.52 145.48 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.575 HG22 ' HG2' ' A' ' 43' ' ' MET . 29.0 t -126.69 96.2 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 29.4 m-85 -95.7 49.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 42' ' ' LEU . 28.0 m -147.21 -171.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 178.06 -169.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.5 139.45 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.05 27.58 73.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.755 ' O ' HG23 ' A' ' 61' ' ' THR . 2.6 t0 -100.27 173.27 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -125.16 134.58 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.08 168.12 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 4.1 mmtp -125.26 134.23 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.25 115.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.67 4.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.74 148.4 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.6 OUTLIER -73.91 88.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 56' ' ' SER . 87.4 mt -63.47 -69.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.575 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.08 176.31 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG13 ' HG3' ' A' ' 51' ' ' GLU . 94.2 t -125.15 136.48 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.716 ' HG2' HD13 ' A' ' 25' ' ' ILE . 79.9 mtp -121.4 167.21 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 51' ' ' GLU . 11.1 mm -139.35 111.87 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.89 -87.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.431 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -106.27 88.21 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? 41.88 28.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' MET . 13.5 tpp -130.68 146.23 52.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.1 tt0 -101.19 139.1 37.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -125.91 151.42 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.631 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . 0.476 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 22.8 m -119.1 103.68 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 54' ' ' ILE . 2.9 mp -70.88 95.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -81.34 127.69 33.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -47.59 139.98 8.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.38 8.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -163.96 175.41 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.65 152.81 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.7 167.14 23.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 34' ' ' ASP . 6.2 m -106.34 105.91 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 67.3 t -43.79 124.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -84.76 -51.81 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -162.27 141.4 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 HG12 ' A' ' 80' ' ' VAL . 21.7 t -91.19 157.32 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -115.18 -28.93 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -120.43 143.57 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -122.14 -169.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.65 141.41 58.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.46 47.73 88.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.576 1.172 . . . . 0.0 111.054 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.57 151.63 35.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -98.62 110.75 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 22' ' ' THR . . . -103.37 164.18 11.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.582 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -116.49 168.14 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 119.9 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m170 68.38 63.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.582 HG21 ' CB ' ' A' ' 74' ' ' ASN . 12.4 p -124.81 154.57 70.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 110.22 3.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.449 1.762 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 19' ' ' ALA . 57.4 mt -85.99 -61.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.468 HG12 HG13 ' A' ' 65' ' ' VAL . 7.6 m -124.34 157.26 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -116.54 134.86 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -88.78 155.07 19.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.65 168.38 18.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -102.86 81.34 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -115.07 160.26 19.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -150.27 150.24 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.35 121.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 53.96 94.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -86.7 106.14 17.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -159.61 143.95 14.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -171.65 87.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.0 151.02 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -153.21 148.9 27.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.4 p -157.87 160.13 37.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.68 151.01 19.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.165 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.02 27.35 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.5 1.789 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.7 t -110.25 -60.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.047 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 p 54.54 169.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p 55.56 167.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.767 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -155.3 -59.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.83 171.75 15.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.37 170.12 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.15 134.4 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.42 -170.34 12.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -90.65 171.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 t -177.39 162.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -123.16 166.31 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.57 108.78 13.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -168.74 143.03 3.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.419 ' HA ' HD11 ' A' ' 18' ' ' LEU . 7.4 m -132.0 -70.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.76 146.89 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.53 70.11 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.34 155.86 10.95 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 161.46 38.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 13' ' ' THR . 34.8 mt -120.23 125.09 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 141.84 2.15 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.7 ttt -145.27 170.61 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.6 m -58.89 127.66 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.37 176.82 43.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' MET . 31.2 m -113.72 145.75 40.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.362 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.859 HD13 ' HG2' ' A' ' 45' ' ' MET . 16.7 mm -77.39 116.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -93.39 -48.71 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.45 150.81 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.815 HG22 ' HG2' ' A' ' 43' ' ' MET . 52.6 t -132.23 102.77 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 25.1 m-85 -97.95 50.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.539 HG22 HG13 ' A' ' 28' ' ' VAL . 27.0 m -145.52 -175.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.57 166.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.15 143.7 48.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.42 24.81 66.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 15.1 t0 -93.55 169.95 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -126.14 131.73 51.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.62 156.48 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.94 135.81 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.68 112.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.8 31.68 6.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.96 150.27 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.49 99.43 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 54.2 mt -71.67 -68.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.815 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.22 176.28 8.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.1 t -126.16 123.41 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.859 ' HG2' HD13 ' A' ' 25' ' ' ILE . 76.3 mtp -106.48 168.61 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 51' ' ' GLU . 25.1 mm -129.84 99.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.25 166.22 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.2 mmt 51.73 20.23 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.71 17.65 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -127.63 -179.36 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.6 tt0 -112.59 138.95 48.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.09 159.75 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -121.15 106.98 12.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.28 117.44 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -91.86 155.61 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.3 t -73.56 141.31 79.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.04 -28.61 8.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -166.78 169.91 12.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.53 145.48 36.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.43 174.09 40.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 34' ' ' ASP . 82.0 m -99.73 108.4 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.1 t -48.49 101.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -58.66 -62.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -158.76 145.5 17.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 67' ' ' TYR . 42.3 t -91.42 140.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -100.46 -38.08 8.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 73' ' ' ALA . 29.2 m-85 -105.62 148.15 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -132.29 178.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.14 129.2 39.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.47 27.71 46.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.56 145.83 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -104.59 110.69 23.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . . . -103.08 164.33 11.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.486 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -114.37 168.7 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -64.87 112.44 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 79.24 65.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.549 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.486 HG21 ' HB2' ' A' ' 74' ' ' ASN . 16.6 p -132.43 154.85 81.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.14 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 mt -98.31 -57.54 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 30' ' ' VAL . 4.0 m -126.04 152.86 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -110.47 157.07 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.8 152.3 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -69.38 163.9 24.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.96 147.79 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.17 172.94 12.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -129.73 133.19 46.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.82 108.48 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.11 84.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -104.96 -9.1 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.89 91.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.44 143.45 56.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.79 93.14 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.89 161.46 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -92.17 -64.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 126.67 96.12 0.96 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 106.61 2.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.441 1.759 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.5 153.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.5 114.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.86 101.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -168.51 139.03 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.99 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.27 -98.42 2.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -110.79 101.9 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.83 81.35 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.99 163.73 12.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 m -67.17 -33.89 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -177.68 111.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.957 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.24 134.75 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -127.21 134.62 50.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.2 tt0 -62.92 135.77 57.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m 65.94 -73.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -38.74 121.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.47 86.77 0.06 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.64 -150.42 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.11 42.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.7 mt -116.07 130.36 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.808 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -52.84 148.15 14.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ttt -151.41 163.56 38.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 75' ' ' ARG . 53.5 m -63.67 111.3 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.92 -156.89 7.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 71' ' ' ALA . 16.2 m -132.25 140.06 48.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.66 HD13 ' HG2' ' A' ' 45' ' ' MET . 10.3 mm -72.02 128.29 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.15 -47.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -134.8 143.38 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.735 HG22 ' HG2' ' A' ' 43' ' ' MET . 65.5 t -130.51 102.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' LEU . 32.6 m-85 -98.55 47.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.934 HG21 HG11 ' A' ' 80' ' ' VAL . 18.0 m -147.91 -171.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 175.13 -175.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.21 143.71 27.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.21 30.83 77.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' THR . 38.7 t0 -103.16 171.74 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.11 139.06 54.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.27 171.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.33 134.97 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.24 118.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.56 36.09 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.76 150.58 26.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -79.76 96.95 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 56' ' ' SER . 41.0 mt -70.37 -69.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.735 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.88 176.07 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 52' ' ' HIS . 77.8 t -127.96 122.16 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.696 ' O ' HD13 ' A' ' 46' ' ' ILE . 76.2 mtp -101.73 167.81 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 45' ' ' MET . 34.2 mm -127.5 99.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.5 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 mtt 50.26 26.88 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 24.63 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.483 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 2.9 ttt -143.17 150.57 39.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HA ' HD13 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -91.78 147.54 22.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.5 m-70 -134.05 160.09 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -112.11 103.28 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.422 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.9 105.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -78.98 148.65 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.682 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -62.98 141.99 97.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.98 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.26 -176.36 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.37 156.76 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.91 -162.08 29.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 34' ' ' ASP . 8.8 m -120.91 133.57 55.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.4 t -77.06 103.09 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -61.09 -54.11 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.74 178.29 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 66' ' ' PHE . 13.4 t -123.05 171.48 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 81.2 m-85 -122.95 -38.68 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -126.69 138.47 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 8.2 mtt-85 -113.46 -173.43 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -49.62 149.05 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.91 49.61 9.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 24' ' ' THR . . . -111.13 162.64 14.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -109.86 115.8 30.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.75 164.0 13.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.511 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.9 OUTLIER -118.18 168.45 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 22' ' ' THR . 3.2 ttp180 -63.61 114.69 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.45 68.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 74' ' ' ASN . 10.9 p -132.5 154.2 81.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 118.08 5.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 19' ' ' ALA . 8.4 mt -90.22 -57.63 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.934 HG11 HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -125.26 142.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.2 tt0 -101.18 117.71 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.73 155.27 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.43 169.26 17.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.42 109.2 5.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -120.88 171.93 8.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.76 -177.68 5.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 t -162.51 126.31 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -128.25 85.37 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.57 113.58 27.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -78.64 134.93 37.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.75 128.11 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -177.9 115.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -143.76 115.58 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -165.51 151.59 9.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.26 66.89 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.79 28.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.7 m -156.52 123.74 5.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.058 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.1 t -177.06 163.98 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.87 163.87 21.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.16 -58.71 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.68 -147.99 5.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 p -125.96 -59.02 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -59.51 163.24 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.0 -155.47 21.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -86.92 169.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.61 -60.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -172.17 108.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.99 93.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.02 74.83 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 t -169.01 151.45 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -166.96 136.15 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.54 -82.05 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.4 -147.1 4.73 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.14 18.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.559 1.82 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 76' ' ' HIS . 29.1 mt -86.1 153.67 21.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 79' ' ' LEU . . . -64.99 142.23 98.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.96 -33.07 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 ttt -174.46 157.27 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.4 m -57.87 105.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.0 -164.73 11.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' MET . 55.2 m -124.01 142.33 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.74 HD13 ' HG2' ' A' ' 45' ' ' MET . 13.2 mm -75.62 121.93 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 26' ' ' GLU . 6.0 tp10 -100.46 -51.92 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.34 147.11 52.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.629 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.8 t -131.3 100.24 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -97.64 49.43 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.2 m -147.64 -172.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.52 166.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 142.31 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.7 33.53 85.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.934 ' O ' HG23 ' A' ' 61' ' ' THR . 19.8 t0 -101.99 173.28 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.41 136.0 52.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.72 158.18 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.96 137.41 47.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.24 113.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.68 45.8 3.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.49 147.57 37.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -74.18 91.92 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 47.2 mt -64.78 -69.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.629 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -140.03 176.18 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 52' ' ' HIS . 73.4 t -126.12 128.06 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 25' ' ' ILE . 43.7 mtp -109.43 169.29 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -139.85 126.21 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.38 -82.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ptp -88.33 68.26 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mttm 42.74 33.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.15 150.51 51.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -95.89 123.72 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.4 m-70 -103.51 152.62 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -120.59 99.53 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 79' ' ' LEU . 2.1 mp -71.25 99.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -82.01 139.72 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.5 138.08 96.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 173.52 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.83 123.73 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.35 177.1 36.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 34' ' ' ASP . 16.7 m -113.48 105.99 14.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.9 t -43.69 115.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -75.47 -56.4 4.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -155.31 146.42 22.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 42.6 t -93.67 146.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -104.8 -39.69 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 73' ' ' ALA . 53.8 m-85 -113.6 141.69 46.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.1 mmt85 -112.74 -174.68 2.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.0 147.32 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 52.03 40.48 51.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -114.24 144.18 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -100.54 126.21 46.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 67' ' ' TYR . . . -131.71 160.24 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.403 ' HB2' HG21 ' A' ' 77' ' ' THR . 75.2 m-20 -100.32 167.71 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 49.7 ttt180 -78.06 147.79 34.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.89 ' O ' HD22 ' A' ' 18' ' ' LEU . 6.2 m80 90.68 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 77' ' ' THR . 34.3 p -57.49 148.28 55.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' A' ' 19' ' ' ALA . 43.2 mt -69.12 -55.44 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.11 159.29 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -112.61 120.68 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -77.92 155.12 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -69.77 162.7 27.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.32 82.25 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.77 160.79 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -142.79 153.47 43.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m 56.39 104.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.67 94.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.3 95.35 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 145.39 30.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.59 150.1 35.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.02 105.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.46 154.22 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -151.66 168.61 24.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.33 115.8 4.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.77 42.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.97 166.38 10.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.2 p -49.0 169.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.56 82.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.5 146.9 35.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.58 150.02 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -132.55 149.48 52.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -79.47 109.15 13.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.0 117.32 5.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.42 168.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.3 p -122.97 102.22 7.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 m -106.4 128.2 53.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.96 164.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 55.78 101.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.348 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -124.3 -59.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -79.49 58.05 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.62 -70.79 1.02 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.0 -148.97 25.0 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.02 161.52 38.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -118.83 135.44 54.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -52.61 144.15 25.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ptp -153.76 170.9 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 m -68.33 113.88 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.42 -160.57 9.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 45' ' ' MET . 56.4 m -124.39 141.21 52.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.823 HD13 ' HG2' ' A' ' 45' ' ' MET . 20.0 mm -74.74 107.54 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.59 -51.91 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' CG ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -132.51 170.88 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' A' ' 43' ' ' MET . 54.4 t -149.61 103.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.14 47.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 HG13 ' A' ' 28' ' ' VAL . 34.0 m -144.77 179.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 175.9 165.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.46 144.13 56.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.71 25.12 63.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 20.5 t70 -92.71 173.34 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -126.35 131.9 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.66 164.46 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 3.8 mttm -131.77 140.46 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.754 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -39.9 119.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.12 -39.75 2.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.14 142.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.42 104.63 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 56' ' ' SER . 81.2 mt -70.3 -67.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -142.3 176.46 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.22 131.09 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.823 ' HG2' HD13 ' A' ' 25' ' ' ILE . 68.5 mtp -115.54 168.94 9.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mt -142.01 113.91 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -109.79 -74.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 ptp -96.47 65.47 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 46.09 28.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.68 141.46 51.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.07 124.6 29.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 15.6 m-70 -106.21 146.85 29.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.668 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -115.5 96.94 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.56 99.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 126.41 30.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' HD11 ' A' ' 42' ' ' LEU . 13.8 t -48.38 145.17 5.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.7 6.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.432 1.753 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.754 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -170.79 161.14 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.65 153.16 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.7 172.83 35.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 61.3 m -103.75 103.67 13.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 40.4 t -44.72 109.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -68.16 -60.58 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 4.4 tttp -157.24 140.02 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 25.4 t -89.35 154.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.88 -32.07 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -114.65 145.61 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -129.3 -179.39 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -56.16 133.87 52.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.35 38.01 53.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.16 152.49 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 0.805 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -108.2 113.93 27.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.15 163.99 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.738 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -109.64 167.82 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -71.54 109.99 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.0 m80 85.35 57.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.738 HG21 ' HB2' ' A' ' 74' ' ' ASN . 13.7 p -127.47 152.8 77.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' A' ' 19' ' ' ALA . 49.3 mt -89.65 -54.45 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' HD2' ' A' ' 17' ' ' PRO . 8.0 m -130.25 153.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -118.69 123.89 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -79.33 155.29 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.38 168.74 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.89 157.04 29.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.85 161.45 30.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.38 -50.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.2 m -149.2 -58.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 40.85 71.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.43 80.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.422 ' NH1' ' HB2' ' A' ' 90' ' ' ARG . 7.6 mtm105 -74.56 108.78 7.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.26 111.91 23.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.91 158.5 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -138.12 153.09 49.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.23 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.2 p -140.89 -173.68 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -146.46 89.34 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.46 3.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.75 141.03 30.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.6 p -167.89 173.61 8.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.923 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.6 -58.37 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t 75.67 -59.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.1 -79.97 0.21 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.03 132.07 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.053 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.47 135.97 45.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.19 146.72 5.46 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.31 81.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -155.53 82.29 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.98 -58.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 52.93 89.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.64 -59.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -102.44 -20.61 14.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -85.45 133.55 34.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.6 -72.14 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.16 -161.65 36.73 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.31 42.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -119.43 129.3 54.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.935 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -50.77 147.14 8.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptp -146.68 167.48 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 m -59.62 109.19 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.37 -179.97 24.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 71' ' ' ALA . 55.2 m -116.64 132.97 56.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.732 HD13 ' CG ' ' A' ' 45' ' ' MET . 19.5 mm -67.89 104.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 18.1 tp10 -76.71 -50.89 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -121.91 162.04 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.918 HG22 ' SD ' ' A' ' 43' ' ' MET . 41.7 t -144.21 97.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 30' ' ' VAL . 27.9 m-85 -99.64 51.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG11 ' HB3' ' A' ' 42' ' ' LEU . 26.1 m -152.91 -173.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.36 -169.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.86 143.53 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.15 26.9 70.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.9 ' O ' HG23 ' A' ' 61' ' ' THR . 2.9 t0 -100.44 173.14 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -125.83 140.12 52.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.15 177.37 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -127.61 133.1 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.64 116.49 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.224 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.88 46.88 3.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -119.47 141.93 48.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 p -68.56 94.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' C ' ' HG2' ' A' ' 43' ' ' MET . 17.8 mt -69.67 -71.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.918 ' SD ' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -133.82 178.08 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.5 t -127.38 135.68 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.732 ' CG ' HD13 ' A' ' 25' ' ' ILE . 19.9 mtp -113.99 166.71 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 11.6 mm -136.14 108.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -113.4 -71.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -103.58 66.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.11 27.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mtp -125.91 149.17 48.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -92.0 114.31 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.527 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 6.2 m-70 -99.96 119.22 37.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -87.65 100.16 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 mp -71.34 97.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.98 144.48 31.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.4 t -64.94 139.83 97.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.83 7.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.86 175.7 12.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.73 148.27 30.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.31 21.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 34' ' ' ASP . 5.9 m -97.05 107.76 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 59.0 t -43.25 118.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -78.16 -57.39 3.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -154.42 149.93 27.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' ' HE1' ' A' ' 43' ' ' MET . 29.7 t -96.65 148.83 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -104.41 -29.21 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -132.49 138.72 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -114.65 -173.73 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -55.01 138.28 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.47 42.03 99.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 24' ' ' THR . . . -110.94 161.55 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.87 122.47 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.59 164.14 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.482 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -118.46 169.16 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -66.97 124.49 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.0 m170 71.15 57.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.647 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.482 HG21 ' CB ' ' A' ' 74' ' ' ASN . 47.2 p -127.94 151.89 76.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 125.02 9.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.935 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.4 mt -99.66 -56.08 2.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG21 HD13 ' A' ' 42' ' ' LEU . 1.2 m -130.21 150.77 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -111.83 147.74 35.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -102.01 154.97 18.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -78.07 169.56 18.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 108.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.84 162.7 6.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -141.09 -45.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -95.28 123.9 39.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -174.02 92.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -106.3 113.46 27.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -76.29 -58.78 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 60.07 100.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 p -141.33 146.08 36.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -116.3 141.66 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.0 p -133.75 168.65 18.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.17 157.32 23.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.429 1.752 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.79 162.76 21.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 m 65.79 164.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.972 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.97 -58.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.954 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.13 167.43 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.8 -160.95 13.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -68.29 132.76 47.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.8 p -87.74 136.39 32.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.2 -67.47 1.29 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.38 148.13 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 t -128.59 -56.1 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -128.45 113.68 15.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.15 123.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.69 -59.83 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -139.02 161.43 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.92 162.42 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.93 91.49 0.31 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.474 1.108 . . . . 0.0 110.977 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.76 150.97 8.72 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.27 35.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.12 140.55 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -58.54 141.9 83.38 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 -29.19 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.8 ttm -173.7 170.04 4.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -61.23 130.23 45.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.83 -162.52 17.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' ILE . 51.1 m -127.94 129.66 47.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.85 HD13 ' HG2' ' A' ' 45' ' ' MET . 32.2 mm -64.67 100.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 7.6 tp10 -71.76 -58.13 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.13 162.68 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.529 HG22 ' HG2' ' A' ' 43' ' ' MET . 37.4 t -141.59 97.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.86 49.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 28' ' ' VAL . 27.7 m -145.29 -170.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.31 -169.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.08 138.93 33.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.93 28.86 73.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.845 ' O ' HG23 ' A' ' 61' ' ' THR . 4.6 t0 -100.32 171.71 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -126.19 136.36 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.4 172.62 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -126.37 134.59 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.43 123.31 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.88 39.01 8.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -114.27 139.73 49.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -62.92 100.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 56' ' ' SER . 97.1 mt -75.69 -67.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.529 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.59 176.38 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLU . 95.8 t -123.51 130.57 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.85 ' HG2' HD13 ' A' ' 25' ' ' ILE . 4.5 mmm -118.33 162.75 17.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' THR . 6.2 mt -139.49 121.05 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.53 -86.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 mtm -94.93 71.47 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.57 45.53 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.0 mtm -141.88 146.48 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.54 122.23 33.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -108.29 140.49 41.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -118.31 96.18 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -78.88 97.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -78.7 151.35 32.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 42' ' ' LEU . 35.6 t -61.05 138.43 94.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -27.83 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.99 171.16 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 142.09 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.63 163.95 27.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 34' ' ' ASP . 3.1 m -104.4 108.38 19.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 69.3 t -43.88 127.26 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -91.0 -54.5 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -151.59 143.62 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 21.2 t -92.57 156.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 37.8 m-85 -112.37 -28.49 7.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -126.91 155.98 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.35 171.04 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.55 131.76 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.84 51.07 31.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -120.77 165.84 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -112.19 115.26 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.1 163.73 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.485 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -118.21 168.57 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 63.7 mtm180 -68.64 115.53 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 1.6 m-70 81.52 58.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 74' ' ' ASN . 20.9 p -128.82 153.22 79.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.99 130.78 13.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 54' ' ' ILE . 12.7 mt -100.66 -48.37 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.09 146.66 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -109.92 117.3 33.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -74.61 155.07 38.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.43 168.21 11.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.84 147.89 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.99 147.34 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.53 -48.58 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.5 p -87.45 113.12 22.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -137.11 93.07 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.4 169.32 17.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.0 172.24 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -135.03 161.98 33.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -145.76 164.55 31.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.66 167.53 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.4 m -127.14 159.99 32.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.69 152.12 16.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -52.87 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.3 m 69.49 150.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.934 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.3 t -130.78 163.37 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 t -81.18 -58.58 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.746 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.15 91.41 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.86 -123.81 3.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -163.69 -58.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.965 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.57 97.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.27 178.36 32.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 9' ' ' SER . 11.3 p -54.01 -52.77 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 8' ' ' VAL . 34.6 t -148.51 92.03 1.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.1 p -174.2 157.39 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.43 143.51 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 45.44 73.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 t -93.43 154.09 18.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.69 150.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.05 71.87 1.02 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.28 157.11 7.81 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.69 136.8 32.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 74' ' ' ASN . . . -45.76 136.44 6.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -75.04 -55.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' A' ' 22' ' ' THR . 26.4 ttt -137.36 163.14 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 75' ' ' ARG . 93.4 m -68.92 116.95 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.9 -164.46 14.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.0 m -124.81 136.67 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.87 HD13 ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -68.5 121.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -97.77 -51.35 4.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -129.96 148.0 51.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 43' ' ' MET . 35.3 t -129.83 97.79 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -93.4 48.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 28' ' ' VAL . 35.5 m -146.36 -178.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -179.56 175.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.1 145.79 37.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.6 26.03 61.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' THR . 8.7 t0 -93.28 173.14 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -125.97 132.26 52.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.55 163.32 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -128.6 133.43 48.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -40.18 115.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.2 34.04 5.77 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -112.73 144.48 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -72.16 97.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 56' ' ' SER . 50.5 mt -70.66 -68.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.619 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.16 176.16 8.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.2 t -127.07 127.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.87 ' HG2' HD13 ' A' ' 25' ' ' ILE . 79.1 mtp -110.27 169.17 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -134.4 121.89 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.07 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mtm -100.96 62.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.97 25.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.11 149.07 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.22 117.19 29.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -102.37 132.83 48.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -98.77 100.07 11.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 mp -72.6 96.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -79.54 136.84 36.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.54 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -61.34 144.93 91.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.37 5.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.671 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 1.9 pttt -161.87 173.33 14.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.72 150.03 36.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.19 172.38 39.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 63.8 m -103.63 101.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 77.5 t -43.44 114.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -71.83 -58.35 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.7 149.0 16.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 6.5 t -87.96 149.41 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 21.2 m-85 -107.22 -32.11 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -122.03 152.79 39.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -127.66 -179.59 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.38 136.08 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.88 33.97 65.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -122.21 139.49 53.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 0.805 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.64 146.49 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.54 157.85 45.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.771 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 5.0 t30 -89.1 169.82 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 1.5 mtm180 -77.76 7.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.425 ' CE1' ' HB2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -147.74 61.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.56 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 1.8 p -143.04 148.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.03 130.59 13.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 mt -90.67 -47.26 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.412 HG23 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -137.87 130.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.7 tt0 -92.08 119.91 32.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.79 152.7 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.45 148.45 49.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.55 156.08 33.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -122.62 172.9 8.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 51.69 -161.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.1 t -107.11 -81.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -126.72 64.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.61 91.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 ptt85 -155.66 177.24 11.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.63 162.83 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.7 p -100.53 116.63 32.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -175.48 151.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.07 170.62 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.65 120.28 4.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.19 39.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.7 p -64.88 165.39 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.6 p -53.82 166.85 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -150.85 155.59 39.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 109.956 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.79 129.83 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.02 72.94 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -175.97 86.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 110.031 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.8 p -162.36 166.96 24.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.16 108.95 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.0 t -87.53 86.24 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.589 0.817 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -158.67 160.6 36.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.7 p -98.9 120.83 40.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.6 86.64 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.24 145.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -114.16 129.17 56.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -166.62 154.69 10.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.72 -66.21 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.81 167.01 26.42 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.12 27.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -109.58 125.05 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.72 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -41.96 127.82 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.68 20.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.466 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 2.2 ptp -166.94 163.92 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.6 m -75.35 112.53 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.06 -171.51 19.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 16.8 m -116.36 150.7 37.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.66 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.6 mm -80.58 128.28 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 5.6 tp10 -107.03 -44.4 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.22 146.79 43.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.643 HG22 ' HG2' ' A' ' 43' ' ' MET . 37.6 t -130.57 97.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -95.28 49.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 27.7 m -148.67 -168.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.18 -169.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.68 142.01 29.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.55 24.01 72.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 61' ' ' THR . 3.3 t0 -97.51 171.92 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.766 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.13 134.07 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 m -132.65 178.99 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -132.55 135.97 46.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.14 124.37 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.18 42.05 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.84 147.99 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -72.96 88.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 95.5 mt -67.34 -67.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.643 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.97 176.53 8.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.41 125.01 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.66 ' HG2' HD13 ' A' ' 25' ' ' ILE . 83.6 mtp -106.16 168.27 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.894 HD13 ' HA ' ' A' ' 51' ' ' GLU . 19.9 mm -134.06 127.37 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.42 -95.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.43 ' C ' ' N ' ' A' ' 50' ' ' MET . 14.5 mtt -73.43 72.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' MET . 16.1 mmtt 40.37 29.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 1.5 ttt -138.84 152.62 47.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.894 ' HA ' HD13 ' A' ' 46' ' ' ILE . 1.9 pt-20 -101.83 137.36 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.476 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 2.0 m-70 -124.79 136.38 53.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -84.97 113.71 21.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 45' ' ' MET . 5.5 mm -71.74 100.78 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 142.76 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.433 ' OG ' HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -67.96 141.99 94.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.06 -32.13 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -160.26 -173.84 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.21 150.02 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.49 164.64 17.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.855 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.9 m -98.45 107.74 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 60.7 t -43.31 120.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -81.31 -56.95 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -153.45 149.72 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.5 HG22 HG12 ' A' ' 80' ' ' VAL . 46.3 t -97.92 149.38 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.61 -37.83 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 71.8 m-85 -115.86 147.79 40.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -125.62 -178.3 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.6 135.94 50.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.31 38.65 91.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.22 142.83 44.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -94.15 108.87 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -100.59 162.08 13.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.473 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.6 t30 -117.79 168.11 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 21' ' ' MET . 8.5 ttt180 -70.91 119.72 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HG2' ' A' ' 75' ' ' ARG . 5.6 m170 80.83 50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 74' ' ' ASN . 48.5 p -124.84 152.56 69.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.48 6.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 19' ' ' ALA . 24.6 mt -93.82 -54.61 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 65' ' ' VAL . 1.9 m -137.91 149.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.19 153.15 21.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -107.91 155.07 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.98 163.16 27.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 85' ' ' GLU . 7.2 mt-10 -86.51 146.38 26.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.55 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 1.2 pt-20 43.75 -169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.55 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 1.2 tp10 60.5 121.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -152.42 132.61 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.33 89.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.86 138.3 57.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.77 -55.76 2.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.33 129.26 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.0 m -133.02 111.82 11.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -166.56 134.09 2.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.92 168.08 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.02 157.64 27.28 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -169.66 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.448 1.762 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 p -151.06 -58.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.938 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t 76.6 -153.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.032 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.81 -58.47 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 0.731 . . . . 0.0 110.067 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -115.24 150.37 36.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.69 103.31 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -138.84 -58.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -82.52 103.43 12.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.4 -174.59 28.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.098 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.18 121.5 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t 43.04 77.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.5 t -172.49 120.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -153.48 112.79 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.258 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.55 82.28 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t -109.52 148.93 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -170.67 120.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.76 -51.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.21 -167.51 13.06 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.02 128.46 11.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.37 132.26 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.93 145.11 65.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -30.03 7.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.772 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' THR . 3.9 ttt -178.34 161.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 73' ' ' ALA . 36.3 m -57.97 109.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.49 -154.43 6.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.7 m -131.92 132.46 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.7 HD13 ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -73.69 115.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.74 -53.11 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -131.43 154.71 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 43' ' ' MET . 53.5 t -136.57 100.68 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.99 50.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -149.13 -177.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.05 167.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 145.6 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.05 20.35 60.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 22.8 t0 -92.6 168.27 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HD3' HG23 ' A' ' 61' ' ' THR . 2.2 mmtp -123.22 133.18 54.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.95 176.93 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 2.1 mttt -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.84 117.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.0 31.81 14.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.44 147.22 26.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -70.08 87.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 56' ' ' SER . 81.5 mt -65.37 -68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.453 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.12 176.52 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.54 122.46 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.7 ' HG2' HD13 ' A' ' 25' ' ' ILE . 70.5 mtp -105.71 169.39 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -140.14 101.52 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -131.42 165.19 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 50.61 24.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt 67.76 17.82 9.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.469 ' O ' ' CE1' ' A' ' 52' ' ' HIS . 16.8 tpp -128.4 145.6 51.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.19 146.12 37.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.524 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.5 m-70 -133.99 160.07 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -118.78 107.77 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 45' ' ' MET . 9.8 mm -75.01 98.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -88.35 156.73 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.2 t -79.8 136.95 54.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.79 7.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -161.63 169.23 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.99 148.93 29.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.69 165.72 24.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 45.9 m -87.95 107.8 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.2 t -45.85 108.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -65.52 -59.18 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -163.13 148.52 11.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 80' ' ' VAL . 4.0 t -95.8 140.05 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 49.1 m-85 -96.86 -26.99 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 79.1 m-85 -119.51 148.93 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -125.75 -173.16 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.51 147.29 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 45.2 56.51 6.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.82 167.83 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -104.67 113.55 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 22' ' ' THR . . . -89.82 163.8 14.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.564 ' HB2' HG21 ' A' ' 77' ' ' THR . 5.4 m-20 -117.15 168.44 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp85 -83.27 93.95 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.4 m170 88.7 70.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -140.12 153.94 69.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.94 106.61 2.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD13 HG21 ' A' ' 54' ' ' ILE . 29.2 mt -72.3 -51.75 19.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.454 HG23 ' CD ' ' A' ' 17' ' ' PRO . 2.5 m -130.06 163.73 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.1 tt0 -124.84 127.19 46.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -83.58 154.15 23.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.14 164.69 25.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.2 110.06 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.63 153.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.6 83.89 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 m -90.39 110.39 21.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -157.93 96.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 176.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 61.35 149.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.97 100.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.3 p -113.54 121.78 45.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.023 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.82 92.75 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.6 157.49 10.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -125.22 154.46 18.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.09 4.18 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.3 m -74.49 158.54 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -165.09 111.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.05 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -154.5 159.22 40.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 p 178.51 146.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.8 78.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.77 107.62 18.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.71 -60.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' HG22 ' A' ' 8' ' ' VAL . . . 163.38 87.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.407 HG22 ' C ' ' A' ' 7' ' ' GLY . 26.9 m 41.12 52.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.571 0.806 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -94.84 137.9 33.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.39 -61.26 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 67.81 91.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.36 120.52 4.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 m -106.61 -69.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.59 154.96 39.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.78 -93.95 0.81 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.64 161.74 52.55 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' ALA . 63.5 mt -100.07 115.44 29.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -40.28 143.78 0.61 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.98 -41.14 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -147.57 179.08 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 73' ' ' ALA . 7.5 m -84.68 113.03 21.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.61 -165.45 11.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ILE . 40.6 m -120.0 142.97 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.705 HD13 ' HG2' ' A' ' 45' ' ' MET . 18.6 mm -75.0 122.18 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -97.99 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -136.22 146.27 46.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG22 ' HG2' ' A' ' 43' ' ' MET . 25.2 t -128.09 99.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.06 50.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.6 m -148.55 -178.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 179.88 174.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 146.23 39.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.75 21.71 58.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' THR . 9.0 t0 -90.46 171.31 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HD3' HG23 ' A' ' 61' ' ' THR . 2.9 mmtp -126.22 133.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.496 HG11 ' CD2' ' A' ' 42' ' ' LEU . 14.3 m -135.4 168.75 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -127.94 135.79 50.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.98 118.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.77 36.9 7.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.49 145.95 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -69.79 87.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD2' HG11 ' A' ' 36' ' ' VAL . 96.5 mt -67.11 -68.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.511 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.27 176.32 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.2 t -124.26 133.86 68.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.705 ' HG2' HD13 ' A' ' 25' ' ' ILE . 68.1 mtp -115.79 169.11 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.808 HD13 ' HA ' ' A' ' 51' ' ' GLU . 14.7 mm -140.28 107.85 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -108.66 -99.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 50' ' ' MET . 7.1 mtp -66.85 68.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.1 mmtt 39.94 30.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 48' ' ' MET . 1.5 mtt -130.9 158.22 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.808 ' HA ' HD13 ' A' ' 46' ' ' ILE . 5.6 tt0 -97.64 138.32 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -130.4 150.34 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 m -105.53 111.31 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.0 mm -71.6 97.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.85 134.99 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -62.0 142.79 95.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -33.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -163.99 168.94 18.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.13 146.68 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.26 -171.63 44.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 52.6 m -113.25 103.31 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 75.5 t -42.95 118.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -76.24 -57.4 3.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -162.35 141.34 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' CG1' ' A' ' 80' ' ' VAL . 3.9 t -90.31 137.99 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -99.92 -24.3 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 65' ' ' VAL . 51.1 m-85 -120.37 144.59 47.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' HA ' HG21 ' A' ' 28' ' ' VAL . 4.7 mmt180 -127.81 -179.25 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.05 129.21 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.25 28.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.06 139.58 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -89.17 111.67 22.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 22' ' ' THR . . . -105.89 164.49 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.427 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -118.57 169.63 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 22' ' ' THR . 17.4 mtm180 -66.72 124.42 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 66.87 63.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.427 HG21 ' CB ' ' A' ' 74' ' ' ASN . 18.4 p -128.45 152.05 77.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.86 4.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 19' ' ' ALA . 48.9 mt -89.94 -51.84 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' CG1' HG13 ' A' ' 65' ' ' VAL . 2.6 m -133.5 164.33 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 118.26 25.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -77.71 153.05 33.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.77 169.94 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.24 142.07 52.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.71 157.87 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -118.52 101.24 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.8 158.42 25.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 47.1 t0 179.0 -37.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.06 124.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.56 91.88 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -175.34 141.43 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.02 112.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.17 92.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.71 160.94 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.18 66.07 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.76 41.87 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.28 101.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -172.08 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.19 146.57 47.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.766 . . . . 0.0 110.006 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -91.81 136.58 33.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.8 76.35 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.63 -58.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -67.65 97.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.945 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 -172.72 20.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.9 p -97.34 119.35 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.08 89.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 49.56 92.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -108.79 168.25 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -173.44 -59.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 t -127.7 152.18 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.427 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -140.85 124.01 16.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.19 74.24 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.51 155.34 8.61 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 162.9 36.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.3 mt -122.76 127.18 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . . . -47.01 136.57 8.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.99 -17.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.809 . . . . 0.0 110.977 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.409 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER 178.61 159.88 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m -57.93 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.11 -170.62 16.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.6 m -122.91 136.52 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.649 HD13 ' CG ' ' A' ' 45' ' ' MET . 27.9 mm -72.04 104.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.9 tp10 -74.36 -43.09 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.77 164.11 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.911 HG22 ' SD ' ' A' ' 43' ' ' MET . 44.8 t -144.54 96.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.88 50.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG21 HG11 ' A' ' 80' ' ' VAL . 31.3 m -151.22 -176.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.58 -167.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.3 142.37 27.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.21 20.76 69.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.749 ' O ' HG23 ' A' ' 61' ' ' THR . 0.6 OUTLIER -95.33 161.6 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 142.91 46.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.64 159.99 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -108.09 134.45 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.12 113.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.41 44.41 2.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.54 143.72 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -71.19 84.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' C ' ' HG2' ' A' ' 43' ' ' MET . 61.7 mt -57.88 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.911 ' SD ' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.39 178.23 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 92.6 t -125.79 132.87 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.649 ' CG ' HD13 ' A' ' 25' ' ' ILE . 4.2 mtp -112.31 164.89 12.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 10.4 mm -136.56 111.74 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.28 -73.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mtp -96.59 62.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 45.51 26.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 mmm -125.48 151.09 46.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -86.37 121.36 28.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.471 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 4.8 m-70 -107.84 117.43 34.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.623 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -90.48 98.54 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.5 mp -71.06 94.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -80.16 139.53 36.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.79 140.61 85.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.03 14.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -164.91 -179.85 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -86.92 139.45 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.29 165.15 31.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 34' ' ' ASP . 49.3 m -97.44 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.6 t -44.48 119.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -73.4 -56.72 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -152.96 168.51 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.67 HG13 HG12 ' A' ' 80' ' ' VAL . 3.5 t -122.89 134.51 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 47.1 m-85 -116.88 25.58 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 56.2 m-85 -158.27 141.18 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -130.54 -174.24 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -59.58 126.11 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.15 41.68 38.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.44 138.46 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.35 121.09 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.96 163.09 17.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.422 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.4 OUTLIER -118.36 168.04 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp180 -70.57 120.03 15.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER 81.14 51.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 45.6 p -125.96 145.0 50.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.97 108.51 2.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.435 1.755 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.54 -45.1 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG12 HG13 ' A' ' 65' ' ' VAL . 4.5 m -137.93 167.55 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -123.84 155.3 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -112.55 151.95 29.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.45 168.31 20.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -84.88 71.65 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.31 178.36 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -60.43 -73.47 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER 83.31 158.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.11 86.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -108.99 98.49 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.29 105.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -151.83 -56.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 t -50.04 -61.69 2.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.19 118.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 t -87.4 150.91 23.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.07 96.93 0.15 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.2 t -134.09 163.14 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 t 61.66 154.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 m -58.63 171.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -100.76 142.8 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.3 -84.73 0.18 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.99 161.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.66 138.2 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.25 -167.99 12.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.8 p -111.56 64.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 m -124.85 124.61 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.96 -53.5 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -64.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -146.25 135.03 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.4 m -88.97 -59.31 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.42 104.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.39 -63.94 0.17 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.54 -166.28 38.55 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.757 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 76' ' ' HIS . 10.7 mt -68.2 155.92 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 74' ' ' ASN . . . -60.06 139.18 91.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -28.22 9.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.77 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.425 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 10.5 ttm -169.68 153.27 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 m -57.95 105.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.84 -169.36 17.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' ILE . 94.1 m -118.62 146.52 44.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 110.445 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.745 HD13 ' HG2' ' A' ' 45' ' ' MET . 15.5 mm -73.39 122.99 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -99.5 -51.02 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.41 148.94 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.588 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.5 t -130.05 100.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -99.22 50.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.756 HG21 HG11 ' A' ' 80' ' ' VAL . 31.3 m -149.13 -175.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -175.66 -166.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.14 148.75 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 61.5 21.14 59.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' OD1' ' CE ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -95.81 168.03 10.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -126.01 127.82 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.02 158.49 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.08 135.25 50.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.77 113.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.49 46.05 2.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.99 141.25 48.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -67.63 91.15 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.589 HD11 ' HA ' ' A' ' 56' ' ' SER . 67.6 mt -63.71 -71.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.588 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -140.34 176.43 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.8 t -125.83 132.58 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.745 ' HG2' HD13 ' A' ' 25' ' ' ILE . 75.3 mtp -114.78 168.81 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.6 mm -134.52 122.02 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -125.84 -73.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -103.05 63.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 47.05 28.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -127.22 147.11 50.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -90.26 114.92 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' HIS . . . . . 0.522 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.2 m-70 -98.98 120.43 39.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -90.29 100.41 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -71.59 99.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -82.06 137.62 35.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.589 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -57.37 143.19 74.65 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.69 5.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 -173.62 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.32 137.81 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.53 -176.67 48.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 34' ' ' ASP . 15.3 m -108.19 123.14 48.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 95.5 t -68.9 109.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -67.98 -46.0 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.4 177.95 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 66' ' ' PHE . 6.0 t -115.71 172.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' H ' HG12 ' A' ' 65' ' ' VAL . 39.8 m-85 -122.32 -38.68 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 54.3 m-85 -127.16 153.46 46.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 8.3 mtt-85 -122.95 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -54.07 146.51 14.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.43 44.82 77.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -122.06 155.7 35.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -110.38 136.54 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . . . -142.42 127.93 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m-20 -69.34 158.53 34.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CG ' ' HA ' ' A' ' 21' ' ' MET . 20.5 ttp-105 -69.87 60.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' HIS . . . . . 0.49 ' O ' HD13 ' A' ' 18' ' ' LEU . 0.0 OUTLIER -174.13 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.633 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.4 p -59.09 150.73 60.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.547 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 152.76 41.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 19' ' ' ALA . 3.5 mt -106.03 -53.87 2.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.756 HG11 HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.99 140.72 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.1 tt0 -96.37 124.41 40.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.97 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.26 161.9 29.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 142.58 56.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.31 153.18 38.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.26 124.73 50.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.29 109.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.048 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.38 94.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 155.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.44 168.89 5.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -147.51 146.2 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.03 151.6 27.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -115.71 133.39 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.4 t -105.66 164.76 11.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -158.13 94.62 0.14 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.87 41.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 32.8 t -159.39 173.77 15.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.1 t -102.13 165.79 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -163.63 139.0 6.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 0.754 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -133.43 159.21 41.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.0 139.87 8.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.15 102.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -117.61 153.86 32.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.37 74.87 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -133.82 102.08 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 0.724 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.86 -57.8 2.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.0 m 61.26 159.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -144.18 142.74 30.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 13' ' ' THR . 0.3 OUTLIER -135.09 81.47 1.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 12' ' ' GLU . 11.6 t 44.89 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.41 159.56 34.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 162.44 -49.81 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.27 171.51 42.26 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 130.91 13.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.58 117.76 28.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -42.55 148.44 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.78 6.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.418 ' CG ' ' N ' ' A' ' 22' ' ' THR . 11.3 ttp -179.18 156.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 73' ' ' ALA . 58.6 m -58.0 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -136.51 -156.85 7.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' MET . 26.4 m -124.1 131.85 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ILE . . . . . 0.687 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.5 mm -71.72 113.75 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.24 -53.07 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -131.62 157.07 44.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.548 HG22 ' HG2' ' A' ' 43' ' ' MET . 28.0 t -137.86 98.39 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.54 51.27 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 30.9 m -150.4 -175.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.99 -165.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -99.08 143.38 29.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.52 26.48 69.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 61' ' ' THR . 0.4 OUTLIER -100.7 157.39 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 132.41 56.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.94 162.32 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 133.94 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.49 113.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.87 42.59 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.99 144.48 38.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -71.1 83.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 62.9 mt -54.28 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' MET . . . . . 0.548 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.96 176.41 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.3 t -126.0 132.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' MET . . . . . 0.687 ' HG2' HD13 ' A' ' 25' ' ' ILE . 85.7 mtp -117.17 166.04 12.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 51' ' ' GLU . 15.0 mm -139.09 106.94 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.66 -98.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.438 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -93.83 87.12 5.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 29.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mmt -128.52 150.82 50.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.702 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.8 tt0 -105.36 139.45 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.74 133.53 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -99.75 101.47 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.9 mp -71.11 95.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.77 151.16 28.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.485 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -66.2 140.52 96.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.957 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -31.06 6.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -161.39 172.74 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.52 120.74 23.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.95 169.36 37.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 2.2 m -104.27 104.51 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.0 t -44.89 116.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -74.19 -56.37 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -157.79 147.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 11.7 t -95.9 145.85 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -106.25 -25.98 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' TYR . . . . . 0.493 ' CD1' ' HA ' ' A' ' 79' ' ' LEU . 51.9 m-85 -118.85 152.02 37.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -131.74 -177.28 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -53.9 144.66 18.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.23 53.42 27.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -121.32 159.07 26.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -95.3 111.21 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.881 ' O ' HG23 ' A' ' 22' ' ' THR . . . -85.79 164.3 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASN . . . . . 0.602 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.5 OUTLIER -114.18 168.95 9.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -81.45 99.6 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 73.81 75.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . 0.602 HG21 ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -139.59 153.76 70.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.08 95.2 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 5.6 mt -71.67 -59.03 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.6 148.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.34 142.4 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -102.31 153.72 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.48 167.6 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -88.45 101.98 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.52 145.96 30.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -134.24 -49.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.74 99.8 9.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -95.73 94.11 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.078 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -83.42 126.14 32.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -140.68 153.8 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.59 132.12 56.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -59.85 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.54 77.4 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.32 150.63 26.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.27 158.36 23.94 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 161.49 38.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.42 -60.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 p -55.12 145.17 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -74.96 174.8 12.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.402 ' HA ' ' O ' ' A' ' 77' ' ' THR . 56.1 mt -134.33 126.37 29.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.72 148.78 2.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.51 176.3 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -65.61 109.0 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.81 -168.11 13.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 96.6 m -127.07 134.57 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.677 HD13 ' CG ' ' A' ' 45' ' ' MET . 32.6 mm -68.16 115.29 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 22.4 tp10 -88.49 -49.37 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -132.35 160.64 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.563 HG22 ' HG2' ' A' ' 43' ' ' MET . 53.9 t -141.48 104.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.51 50.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.8 m -149.39 -175.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.25 166.06 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.74 148.86 48.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.13 27.37 59.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.475 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 25.6 t0 -98.05 173.05 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -126.05 127.85 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -127.08 174.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.2 mttm -132.57 133.56 43.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.13 120.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.44 39.07 7.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.72 148.82 32.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.5 OUTLIER -73.35 96.46 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.48 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 90.7 mt -73.02 -67.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.563 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.38 176.15 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -124.85 132.67 71.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.677 ' CG ' HD13 ' A' ' 25' ' ' ILE . 5.8 mtp -113.96 165.18 12.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 12.3 mm -137.72 109.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.424 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.57 -79.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.55 54.63 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttm 49.99 23.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.8 ttp -123.44 149.84 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -84.21 116.1 22.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' HD12 ' A' ' 54' ' ' ILE . 3.8 m-70 -106.71 100.82 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.441 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 81.5 m -74.23 101.56 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 52' ' ' HIS . 1.4 mp -70.95 96.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 145.98 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.406 ' OG ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -70.24 139.55 87.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.425 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 18.4 Cg_endo -75.0 -30.65 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -154.08 -176.37 5.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.93 153.84 18.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.92 172.16 32.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 77.6 m -93.21 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 53.9 t -44.11 118.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -75.7 -52.84 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.34 146.45 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.88 HG13 ' CG1' ' A' ' 80' ' ' VAL . 2.4 t -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 49.6 m-85 -106.57 25.18 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 28.8 m-85 -157.52 149.39 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -140.51 -176.05 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.89 129.55 42.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.52 32.39 51.21 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . . . -100.49 152.43 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -110.2 115.81 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . . . -107.54 164.21 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.527 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.5 t30 -117.62 168.03 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 117.97 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.5 m170 71.7 64.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.527 HG21 ' CB ' ' A' ' 74' ' ' ASN . 23.5 p -130.54 153.79 81.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.31 7.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.92 -48.3 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.88 ' CG1' HG13 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -139.12 152.65 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.06 131.24 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.78 153.28 23.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.981 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.476 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -74.93 168.0 25.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -126.6 127.41 45.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -48.64 145.18 6.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.84 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.7 167.72 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -73.87 105.15 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.24 -155.62 6.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 55.3 m -127.23 145.93 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.699 HD13 ' HG2' ' A' ' 45' ' ' MET . 8.5 mm -75.67 120.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -96.01 -48.42 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -136.0 156.47 48.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.591 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.7 t -137.47 100.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -100.21 50.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 29.2 m -149.69 -174.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.83 -165.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.24 145.36 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.11 25.7 66.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -100.38 158.6 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 132.65 56.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.37 161.9 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 134.17 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.55 114.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.91 3.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.06 143.19 42.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 p -68.74 91.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 56' ' ' SER . 33.8 mt -62.67 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.591 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.31 176.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -126.6 129.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.699 ' HG2' HD13 ' A' ' 25' ' ' ILE . 72.2 mtp -111.96 169.28 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mm -135.38 121.96 33.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.55 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -122.23 -72.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' MET . 4.0 mtt -109.13 74.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.39 31.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.401 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.9 mmt -131.42 148.3 52.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -95.23 120.37 35.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.55 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.7 m-70 -102.41 128.14 49.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -97.22 98.87 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 54' ' ' ILE . 2.3 mp -70.99 94.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -79.99 136.73 36.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.602 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.06 141.48 76.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.45 10.97 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -165.8 173.41 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.97 128.57 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.93 161.56 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 6.3 m -96.79 103.73 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 62.6 t -44.24 119.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -79.24 -56.04 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.14 143.22 16.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.537 HG13 HG12 ' A' ' 80' ' ' VAL . 10.6 t -92.19 150.52 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -108.72 -29.63 8.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -118.68 143.54 46.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -123.08 -175.3 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.18 136.42 52.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.26 49.31 71.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . . . -118.4 149.62 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -98.21 112.45 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.83 164.08 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.737 ' HB2' HG21 ' A' ' 77' ' ' THR . 3.3 m-80 -114.12 167.7 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 24.7 ttp180 -70.5 112.18 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.6 m170 80.86 60.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 74' ' ' ASN . 8.1 p -127.63 152.85 77.39 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 19' ' ' ALA . 51.6 mt -81.13 -52.21 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.537 HG12 HG13 ' A' ' 65' ' ' VAL . 4.3 m -130.24 161.08 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.97 128.97 53.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -83.5 155.04 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.1 35.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 86.9 mt -123.56 141.55 51.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -53.69 138.83 51.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.98 -36.22 2.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.448 1.762 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.5 ttt -161.66 172.6 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.0 m -70.52 123.3 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.1 -157.35 9.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' SD ' ' A' ' 45' ' ' MET . 60.0 m -133.04 129.66 38.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.939 HD13 ' HG2' ' A' ' 45' ' ' MET . 14.3 mm -63.65 101.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.5 tp10 -67.15 -52.11 45.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 172.65 12.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.505 HG22 ' HG2' ' A' ' 43' ' ' MET . 47.3 t -149.22 100.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -98.93 51.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 80' ' ' VAL . 27.5 m -149.4 -173.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.28 -164.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -102.13 143.15 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.74 25.79 70.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.917 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -98.47 169.89 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 129.8 49.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.41 174.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.15 135.97 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.38 122.97 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 45.14 6.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -121.63 137.55 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -62.51 103.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 56' ' ' SER . 83.1 mt -79.89 -67.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.505 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.27 176.19 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.2 t -124.73 137.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.939 ' HG2' HD13 ' A' ' 25' ' ' ILE . 7.9 mmm -122.81 162.07 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.85 113.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -112.37 -69.19 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.426 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -113.17 76.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.06 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -130.96 146.95 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.25 123.88 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.463 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.4 m-70 -110.4 109.64 20.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 m -83.33 97.39 8.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.9 mp -71.39 94.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -81.04 143.99 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.481 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -58.81 137.79 86.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.98 13.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -165.08 178.87 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.48 152.16 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.93 172.17 32.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.917 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.6 m -114.4 106.56 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.3 t -43.32 122.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -85.54 -56.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -149.46 141.87 24.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 66' ' ' PHE . 43.9 t -93.17 163.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 61.0 m-85 -120.41 -37.23 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 42.3 m-85 -125.1 138.77 54.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -114.88 -169.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 131.78 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.59 30.99 61.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.55 152.69 20.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -105.81 113.01 26.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.52 162.5 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.0 OUTLIER -118.15 168.42 10.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -69.13 121.25 16.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 7.5 m170 78.84 51.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 74' ' ' ASN . 72.8 p -126.92 156.24 74.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 129.66 12.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 19' ' ' ALA . 10.3 mt -100.6 -54.08 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.434 HG11 HG21 ' A' ' 30' ' ' VAL . 1.3 m -140.94 148.8 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.82 139.29 41.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -96.72 153.75 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.01 139.39 24.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -103.45 136.02 43.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -55.86 147.29 43.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ptp -148.87 -179.53 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.3 m -73.87 121.32 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.0 -156.57 8.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -133.0 146.33 51.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.703 HD13 ' HG2' ' A' ' 45' ' ' MET . 10.5 mm -77.34 118.05 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -93.13 -47.89 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -134.61 150.52 50.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.678 HG22 ' HG2' ' A' ' 43' ' ' MET . 20.8 t -134.47 93.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -90.31 46.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.433 HG22 HG13 ' A' ' 28' ' ' VAL . 26.9 m -146.95 -176.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.0 166.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.76 145.32 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.75 31.61 72.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 61' ' ' THR . 17.5 t0 -103.26 173.87 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -124.01 131.56 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 60' ' ' GLY . 13.1 m -138.68 170.32 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -134.05 137.41 44.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.62 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -39.87 124.77 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.59 -42.36 1.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.7 142.83 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -76.65 100.83 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' ' 56' ' ' SER . 81.5 mt -64.15 -68.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.678 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.96 176.34 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 52' ' ' HIS . 73.0 t -127.67 131.67 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.703 ' HG2' HD13 ' A' ' 25' ' ' ILE . 74.1 mtp -112.63 169.12 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 17.1 mm -132.19 100.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -131.77 170.72 14.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.5 26.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 59.21 38.79 23.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.5 mmt -146.41 164.58 31.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -87.35 139.6 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.534 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.0 m-70 -133.98 144.62 48.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.4 m -117.8 100.83 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.97 101.6 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -81.21 147.04 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.606 ' HB2' HD21 ' A' ' 42' ' ' LEU . 44.7 t -65.14 141.24 98.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -164.39 161.43 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.61 144.59 56.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . . . 172.41 162.75 25.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.0 m -95.75 103.82 15.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 81' ' ' GLU . 42.0 t -42.93 119.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -79.91 -53.25 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -157.11 146.15 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.798 HG13 HG12 ' A' ' 80' ' ' VAL . 2.6 t -93.74 149.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -105.61 -28.39 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -135.26 140.07 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 2.7 mtt180 -120.23 179.93 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.26 130.29 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.05 -21.98 31.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -62.02 153.18 30.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -115.32 114.95 25.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.84 164.05 13.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.73 168.85 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.06 117.9 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 m170 68.69 71.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.1 p -137.35 155.72 75.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 19' ' ' ALA . 13.1 mt -91.1 -56.27 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.798 HG12 HG13 ' A' ' 65' ' ' VAL . 4.1 m -137.46 158.0 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 3.4 tm-20 -115.06 149.32 37.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -106.44 154.96 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.999 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.98 145.2 31.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -106.65 130.6 54.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.708 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -48.93 145.43 6.43 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.96 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.76 -178.16 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.2 m -82.24 105.92 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -143.13 -165.73 10.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' MET . 37.1 m -120.61 142.78 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.726 HD13 ' HG2' ' A' ' 45' ' ' MET . 14.7 mm -72.47 116.62 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.54 -49.0 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.1 154.13 51.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 43' ' ' MET . 48.2 t -135.33 102.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -100.18 51.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 42' ' ' LEU . 33.4 m -152.18 -177.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.96 -178.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.06 144.52 29.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.87 24.62 64.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' THR . 4.8 t0 -93.31 172.19 8.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HD3' HG23 ' A' ' 61' ' ' THR . 6.0 mmtp -126.37 129.66 49.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.19 170.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -129.42 135.85 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.01 120.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.11 47.67 5.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -121.66 139.56 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -66.28 97.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 56' ' ' SER . 20.7 mt -73.1 -65.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.489 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.92 176.25 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.2 t -126.78 132.07 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.726 ' HG2' HD13 ' A' ' 25' ' ' ILE . 70.9 mtp -115.49 169.15 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.7 mm -136.41 113.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.17 -72.16 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmm -99.9 60.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt 47.59 25.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -125.42 146.86 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -85.88 119.86 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.5 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.9 m-70 -104.07 129.01 51.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 m -98.19 100.33 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 54' ' ' ILE . 2.1 mp -73.63 95.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -80.17 142.99 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -65.89 139.75 96.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -26.58 10.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -164.33 165.12 22.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.56 142.96 40.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.66 175.34 46.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 97.4 m -102.84 100.23 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.747 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 90.2 t -42.82 111.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.76 -59.45 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.06 144.2 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 80' ' ' VAL . 14.7 t -92.09 148.61 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.47 -27.63 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -119.91 148.48 43.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -131.19 179.25 6.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -53.35 135.99 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.8 80.46 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -119.89 150.09 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.35 112.24 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.66 164.04 11.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.679 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -112.11 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -66.35 111.73 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.72 67.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.679 HG21 ' HB2' ' A' ' 74' ' ' ASN . 2.2 p -127.31 155.59 76.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 19' ' ' ALA . 21.0 mt -91.66 -53.24 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 65' ' ' VAL . 4.9 m -129.31 150.73 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -117.11 123.6 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.2 153.27 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -74.95 152.29 40.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 96.8 mt -110.36 137.73 47.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -54.75 152.02 13.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.62 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.456 1.766 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.5 ttt -159.34 168.41 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 m -57.81 110.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.16 -163.01 11.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -125.37 147.52 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 ' HG2' ' A' ' 45' ' ' MET . 9.4 mm -77.16 122.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -95.65 -50.43 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -135.48 152.87 51.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.559 HG22 ' HG2' ' A' ' 43' ' ' MET . 54.2 t -136.37 103.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.67 50.77 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 35.3 m -151.25 -174.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.57 174.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.24 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.29 68.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 43.6 t0 -94.83 173.48 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.7 130.96 52.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.1 163.9 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 38' ' ' ALA . 7.5 mttt -123.92 133.69 53.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.18 113.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.08 39.47 4.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.85 145.07 40.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -74.85 83.81 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 56' ' ' SER . 22.0 mt -56.96 -67.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.559 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.78 176.17 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.24 129.34 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.751 ' HG2' HD13 ' A' ' 25' ' ' ILE . 62.9 mtp -112.92 168.98 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -130.34 100.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -132.82 168.87 17.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 45.8 24.23 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.39 34.03 18.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.4 mmm -142.13 169.76 16.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.67 138.54 32.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.471 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 2.9 m-70 -134.15 148.08 50.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 m -117.93 104.45 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 54' ' ' ILE . 2.1 mp -74.2 96.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -79.38 149.68 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.603 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -68.2 137.52 91.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.23 11.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -165.61 166.07 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.44 143.65 34.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -180.0 -169.19 39.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 99.8 m -115.22 100.57 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.9 t -44.25 100.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.7 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.26 146.32 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 80' ' ' VAL . 19.4 t -95.58 144.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.61 -31.26 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.3 140.9 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -121.31 -174.32 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.52 137.83 52.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.9 47.03 92.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.82 146.03 43.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.21 113.19 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB3' ' CE ' ' A' ' 45' ' ' MET . . . -103.84 164.41 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.747 ' HB2' HG21 ' A' ' 77' ' ' THR . 1.2 m120 -117.94 168.6 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 116.94 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 66.93 70.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.554 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.747 HG21 ' HB2' ' A' ' 74' ' ' ASN . 1.9 p -128.73 153.39 79.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.57 2.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 19' ' ' ALA . 81.0 mt -83.15 -59.68 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.486 HG23 ' HD2' ' A' ' 17' ' ' PRO . 15.5 m -124.29 160.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.63 121.42 35.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.72 153.55 32.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.38 38.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -120.88 136.7 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -55.42 144.03 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -45.15 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -154.6 160.24 41.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 73' ' ' ALA . 90.8 m -61.62 106.71 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.27 -162.1 8.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ILE . 56.5 m -124.38 138.03 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.716 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.2 mm -69.1 126.07 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.2 -50.23 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -136.52 145.48 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.575 HG22 ' HG2' ' A' ' 43' ' ' MET . 29.0 t -126.69 96.2 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 29.4 m-85 -95.7 49.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 42' ' ' LEU . 28.0 m -147.21 -171.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 178.06 -169.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.5 139.45 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.05 27.58 73.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.755 ' O ' HG23 ' A' ' 61' ' ' THR . 2.6 t0 -100.27 173.27 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -125.16 134.58 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.08 168.12 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 4.1 mmtp -125.26 134.23 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.25 115.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.67 4.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.74 148.4 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.6 OUTLIER -73.91 88.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 56' ' ' SER . 87.4 mt -63.47 -69.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.575 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.08 176.31 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.454 HG13 ' HG3' ' A' ' 51' ' ' GLU . 94.2 t -125.15 136.48 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.716 ' HG2' HD13 ' A' ' 25' ' ' ILE . 79.9 mtp -121.4 167.21 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 51' ' ' GLU . 11.1 mm -139.35 111.87 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.89 -87.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.431 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -106.27 88.21 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? 41.88 28.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' MET . 13.5 tpp -130.68 146.23 52.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.1 tt0 -101.19 139.1 37.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -125.91 151.42 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.631 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . 0.476 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 22.8 m -119.1 103.68 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 54' ' ' ILE . 2.9 mp -70.88 95.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -81.34 127.69 33.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -47.59 139.98 8.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.38 8.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -163.96 175.41 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.65 152.81 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.7 167.14 23.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 34' ' ' ASP . 6.2 m -106.34 105.91 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 67.3 t -43.79 124.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -84.76 -51.81 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -162.27 141.4 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 HG12 ' A' ' 80' ' ' VAL . 21.7 t -91.19 157.32 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -115.18 -28.93 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -120.43 143.57 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -122.14 -169.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.65 141.41 58.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.46 47.73 88.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.576 1.172 . . . . 0.0 111.054 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.57 151.63 35.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -98.62 110.75 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 22' ' ' THR . . . -103.37 164.18 11.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.582 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -116.49 168.14 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 119.9 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m170 68.38 63.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.582 HG21 ' CB ' ' A' ' 74' ' ' ASN . 12.4 p -124.81 154.57 70.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 110.22 3.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.449 1.762 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 19' ' ' ALA . 57.4 mt -85.99 -61.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.468 HG12 HG13 ' A' ' 65' ' ' VAL . 7.6 m -124.34 157.26 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -116.54 134.86 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -88.78 155.07 19.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 161.46 38.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' HA ' ' O ' ' A' ' 77' ' ' THR . 34.8 mt -120.23 125.09 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 141.84 2.15 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.7 ttt -145.27 170.61 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.6 m -58.89 127.66 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.37 176.82 43.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' MET . 31.2 m -113.72 145.75 40.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.362 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.859 HD13 ' HG2' ' A' ' 45' ' ' MET . 16.7 mm -77.39 116.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -93.39 -48.71 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.45 150.81 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.815 HG22 ' HG2' ' A' ' 43' ' ' MET . 52.6 t -132.23 102.77 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 25.1 m-85 -97.95 50.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.539 HG22 HG13 ' A' ' 28' ' ' VAL . 27.0 m -145.52 -175.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.57 166.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.15 143.7 48.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.42 24.81 66.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 15.1 t0 -93.55 169.95 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -126.14 131.73 51.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.62 156.48 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.94 135.81 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.68 112.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.8 31.68 6.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.96 150.27 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.49 99.43 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 54.2 mt -71.67 -68.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.815 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.22 176.28 8.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.1 t -126.16 123.41 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.859 ' HG2' HD13 ' A' ' 25' ' ' ILE . 76.3 mtp -106.48 168.61 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 51' ' ' GLU . 25.1 mm -129.84 99.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.25 166.22 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.2 mmt 51.73 20.23 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.71 17.65 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -127.63 -179.36 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.6 tt0 -112.59 138.95 48.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.09 159.75 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -121.15 106.98 12.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.28 117.44 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -91.86 155.61 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.3 t -73.56 141.31 79.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.04 -28.61 8.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -166.78 169.91 12.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.53 145.48 36.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.43 174.09 40.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 34' ' ' ASP . 82.0 m -99.73 108.4 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.1 t -48.49 101.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -58.66 -62.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -158.76 145.5 17.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 67' ' ' TYR . 42.3 t -91.42 140.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -100.46 -38.08 8.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 73' ' ' ALA . 29.2 m-85 -105.62 148.15 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -132.29 178.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.14 129.2 39.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.47 27.71 46.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.56 145.83 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -104.59 110.69 23.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . . . -103.08 164.33 11.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.486 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -114.37 168.7 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -64.87 112.44 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 79.24 65.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.549 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.486 HG21 ' HB2' ' A' ' 74' ' ' ASN . 16.6 p -132.43 154.85 81.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.14 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 mt -98.31 -57.54 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 30' ' ' VAL . 4.0 m -126.04 152.86 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -110.47 157.07 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.8 152.3 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.252 -179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.11 42.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.7 mt -116.07 130.36 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.808 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -52.84 148.15 14.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ttt -151.41 163.56 38.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 75' ' ' ARG . 53.5 m -63.67 111.3 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.92 -156.89 7.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 71' ' ' ALA . 16.2 m -132.25 140.06 48.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.66 HD13 ' HG2' ' A' ' 45' ' ' MET . 10.3 mm -72.02 128.29 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.15 -47.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -134.8 143.38 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.735 HG22 ' HG2' ' A' ' 43' ' ' MET . 65.5 t -130.51 102.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' LEU . 32.6 m-85 -98.55 47.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.934 HG21 HG11 ' A' ' 80' ' ' VAL . 18.0 m -147.91 -171.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 175.13 -175.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.21 143.71 27.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.21 30.83 77.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' THR . 38.7 t0 -103.16 171.74 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.11 139.06 54.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.27 171.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.33 134.97 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.24 118.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.56 36.09 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.76 150.58 26.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -79.76 96.95 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 56' ' ' SER . 41.0 mt -70.37 -69.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.735 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.88 176.07 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 52' ' ' HIS . 77.8 t -127.96 122.16 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.696 ' O ' HD13 ' A' ' 46' ' ' ILE . 76.2 mtp -101.73 167.81 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 45' ' ' MET . 34.2 mm -127.5 99.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.5 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 mtt 50.26 26.88 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 24.63 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.483 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 2.9 ttt -143.17 150.57 39.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HA ' HD13 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -91.78 147.54 22.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.5 m-70 -134.05 160.09 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -112.11 103.28 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.422 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.9 105.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -78.98 148.65 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.682 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -62.98 141.99 97.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.98 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.26 -176.36 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.37 156.76 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.91 -162.08 29.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 34' ' ' ASP . 8.8 m -120.91 133.57 55.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.4 t -77.06 103.09 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -61.09 -54.11 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.74 178.29 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 66' ' ' PHE . 13.4 t -123.05 171.48 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 81.2 m-85 -122.95 -38.68 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -126.69 138.47 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 8.2 mtt-85 -113.46 -173.43 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -49.62 149.05 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.91 49.61 9.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 24' ' ' THR . . . -111.13 162.64 14.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -109.86 115.8 30.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.75 164.0 13.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.511 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.9 OUTLIER -118.18 168.45 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 22' ' ' THR . 3.2 ttp180 -63.61 114.69 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.45 68.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 74' ' ' ASN . 10.9 p -132.5 154.2 81.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 118.08 5.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 19' ' ' ALA . 8.4 mt -90.22 -57.63 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.934 HG11 HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -125.26 142.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.2 tt0 -101.18 117.71 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.73 155.27 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.14 18.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.559 1.82 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 76' ' ' HIS . 29.1 mt -86.1 153.67 21.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 79' ' ' LEU . . . -64.99 142.23 98.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.96 -33.07 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 ttt -174.46 157.27 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.4 m -57.87 105.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.0 -164.73 11.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' MET . 55.2 m -124.01 142.33 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.74 HD13 ' HG2' ' A' ' 45' ' ' MET . 13.2 mm -75.62 121.93 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 26' ' ' GLU . 6.0 tp10 -100.46 -51.92 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.34 147.11 52.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.629 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.8 t -131.3 100.24 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -97.64 49.43 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.2 m -147.64 -172.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.52 166.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 142.31 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.7 33.53 85.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.934 ' O ' HG23 ' A' ' 61' ' ' THR . 19.8 t0 -101.99 173.28 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.41 136.0 52.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.72 158.18 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.472 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.96 137.41 47.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.24 113.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.68 45.8 3.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.49 147.57 37.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -74.18 91.92 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 47.2 mt -64.78 -69.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.629 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -140.03 176.18 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 52' ' ' HIS . 73.4 t -126.12 128.06 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 25' ' ' ILE . 43.7 mtp -109.43 169.29 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -139.85 126.21 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.38 -82.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ptp -88.33 68.26 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mttm 42.74 33.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.15 150.51 51.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -95.89 123.72 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.421 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.4 m-70 -103.51 152.62 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -120.59 99.53 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 79' ' ' LEU . 2.1 mp -71.25 99.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -82.01 139.72 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.5 138.08 96.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 173.52 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.83 123.73 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.35 177.1 36.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 34' ' ' ASP . 16.7 m -113.48 105.99 14.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.9 t -43.69 115.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -75.47 -56.4 4.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -155.31 146.42 22.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 42.6 t -93.67 146.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -104.8 -39.69 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 73' ' ' ALA . 53.8 m-85 -113.6 141.69 46.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.1 mmt85 -112.74 -174.68 2.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.0 147.32 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 52.03 40.48 51.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -114.24 144.18 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -100.54 126.21 46.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 67' ' ' TYR . . . -131.71 160.24 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.403 ' HB2' HG21 ' A' ' 77' ' ' THR . 75.2 m-20 -100.32 167.71 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 49.7 ttt180 -78.06 147.79 34.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.89 ' O ' HD22 ' A' ' 18' ' ' LEU . 6.2 m80 90.68 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 77' ' ' THR . 34.3 p -57.49 148.28 55.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' A' ' 19' ' ' ALA . 43.2 mt -69.12 -55.44 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.11 159.29 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -112.61 120.68 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -77.92 155.12 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.02 161.52 38.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -118.83 135.44 54.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -52.61 144.15 25.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ptp -153.76 170.9 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 m -68.33 113.88 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.42 -160.57 9.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 45' ' ' MET . 56.4 m -124.39 141.21 52.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.823 HD13 ' HG2' ' A' ' 45' ' ' MET . 20.0 mm -74.74 107.54 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.59 -51.91 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.5 ' CG ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -132.51 170.88 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' A' ' 43' ' ' MET . 54.4 t -149.61 103.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.14 47.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 HG13 ' A' ' 28' ' ' VAL . 34.0 m -144.77 179.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 175.9 165.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.46 144.13 56.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.71 25.12 63.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.491 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 20.5 t70 -92.71 173.34 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -126.35 131.9 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.66 164.46 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 3.8 mttm -131.77 140.46 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.754 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -39.9 119.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.12 -39.75 2.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.14 142.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.42 104.63 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 56' ' ' SER . 81.2 mt -70.3 -67.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -142.3 176.46 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.22 131.09 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.823 ' HG2' HD13 ' A' ' 25' ' ' ILE . 68.5 mtp -115.54 168.94 9.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mt -142.01 113.91 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -109.79 -74.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 ptp -96.47 65.47 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 46.09 28.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.68 141.46 51.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.07 124.6 29.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 15.6 m-70 -106.21 146.85 29.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.668 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -115.5 96.94 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.56 99.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 126.41 30.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' HD11 ' A' ' 42' ' ' LEU . 13.8 t -48.38 145.17 5.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.7 6.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.432 1.753 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.754 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -170.79 161.14 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.65 153.16 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.7 172.83 35.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 61.3 m -103.75 103.67 13.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 40.4 t -44.72 109.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -68.16 -60.58 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 4.4 tttp -157.24 140.02 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 25.4 t -89.35 154.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.88 -32.07 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -114.65 145.61 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -129.3 -179.39 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -56.16 133.87 52.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.35 38.01 53.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.16 152.49 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 0.805 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -108.2 113.93 27.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.15 163.99 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.738 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -109.64 167.82 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -71.54 109.99 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.0 m80 85.35 57.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.738 HG21 ' HB2' ' A' ' 74' ' ' ASN . 13.7 p -127.47 152.8 77.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' A' ' 19' ' ' ALA . 49.3 mt -89.65 -54.45 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' HD2' ' A' ' 17' ' ' PRO . 8.0 m -130.25 153.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -118.69 123.89 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -79.33 155.29 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.31 42.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -119.43 129.3 54.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.935 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -50.77 147.14 8.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptp -146.68 167.48 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 m -59.62 109.19 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.37 -179.97 24.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 71' ' ' ALA . 55.2 m -116.64 132.97 56.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.732 HD13 ' CG ' ' A' ' 45' ' ' MET . 19.5 mm -67.89 104.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 18.1 tp10 -76.71 -50.89 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -121.91 162.04 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.918 HG22 ' SD ' ' A' ' 43' ' ' MET . 41.7 t -144.21 97.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 30' ' ' VAL . 27.9 m-85 -99.64 51.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.41 HG11 ' HB3' ' A' ' 42' ' ' LEU . 26.1 m -152.91 -173.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.36 -169.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.86 143.53 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.15 26.9 70.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.9 ' O ' HG23 ' A' ' 61' ' ' THR . 2.9 t0 -100.44 173.14 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -125.83 140.12 52.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.15 177.37 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -127.61 133.1 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.64 116.49 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.224 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.88 46.88 3.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -119.47 141.93 48.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 p -68.56 94.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.442 ' C ' ' HG2' ' A' ' 43' ' ' MET . 17.8 mt -69.67 -71.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.918 ' SD ' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -133.82 178.08 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.5 t -127.38 135.68 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.732 ' CG ' HD13 ' A' ' 25' ' ' ILE . 19.9 mtp -113.99 166.71 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 11.6 mm -136.14 108.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -113.4 -71.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -103.58 66.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.11 27.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mtp -125.91 149.17 48.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -92.0 114.31 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.527 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 6.2 m-70 -99.96 119.22 37.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -87.65 100.16 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 mp -71.34 97.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.98 144.48 31.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.4 t -64.94 139.83 97.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.83 7.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.86 175.7 12.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.73 148.27 30.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.31 21.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 34' ' ' ASP . 5.9 m -97.05 107.76 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 59.0 t -43.25 118.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -78.16 -57.39 3.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -154.42 149.93 27.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' ' HE1' ' A' ' 43' ' ' MET . 29.7 t -96.65 148.83 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -104.41 -29.21 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -132.49 138.72 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -114.65 -173.73 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -55.01 138.28 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.47 42.03 99.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 24' ' ' THR . . . -110.94 161.55 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.87 122.47 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.59 164.14 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.482 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -118.46 169.16 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -66.97 124.49 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.0 m170 71.15 57.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.647 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.482 HG21 ' CB ' ' A' ' 74' ' ' ASN . 47.2 p -127.94 151.89 76.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 125.02 9.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.935 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.4 mt -99.66 -56.08 2.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.439 HG21 HD13 ' A' ' 42' ' ' LEU . 1.2 m -130.21 150.77 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -111.83 147.74 35.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -102.01 154.97 18.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.27 35.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.12 140.55 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.417 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -58.54 141.9 83.38 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 -29.19 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.8 ttm -173.7 170.04 4.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -61.23 130.23 45.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.83 -162.52 17.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' ILE . 51.1 m -127.94 129.66 47.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.85 HD13 ' HG2' ' A' ' 45' ' ' MET . 32.2 mm -64.67 100.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 7.6 tp10 -71.76 -58.13 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.13 162.68 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.529 HG22 ' HG2' ' A' ' 43' ' ' MET . 37.4 t -141.59 97.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.86 49.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 28' ' ' VAL . 27.7 m -145.29 -170.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.31 -169.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.08 138.93 33.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.93 28.86 73.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.845 ' O ' HG23 ' A' ' 61' ' ' THR . 4.6 t0 -100.32 171.71 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -126.19 136.36 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.4 172.62 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -126.37 134.59 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.43 123.31 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.88 39.01 8.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -114.27 139.73 49.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -62.92 100.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 56' ' ' SER . 97.1 mt -75.69 -67.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.529 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.59 176.38 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLU . 95.8 t -123.51 130.57 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.85 ' HG2' HD13 ' A' ' 25' ' ' ILE . 4.5 mmm -118.33 162.75 17.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' THR . 6.2 mt -139.49 121.05 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.53 -86.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 mtm -94.93 71.47 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.57 45.53 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.0 mtm -141.88 146.48 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.54 122.23 33.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -108.29 140.49 41.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -118.31 96.18 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -78.88 97.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -78.7 151.35 32.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 42' ' ' LEU . 35.6 t -61.05 138.43 94.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -27.83 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.99 171.16 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 142.09 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.63 163.95 27.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 34' ' ' ASP . 3.1 m -104.4 108.38 19.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 69.3 t -43.88 127.26 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -91.0 -54.5 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -151.59 143.62 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.429 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 21.2 t -92.57 156.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 37.8 m-85 -112.37 -28.49 7.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -126.91 155.98 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.35 171.04 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.55 131.76 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.84 51.07 31.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -120.77 165.84 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -112.19 115.26 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.1 163.73 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.485 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -118.21 168.57 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 63.7 mtm180 -68.64 115.53 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.6 m170 81.52 58.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 74' ' ' ASN . 20.9 p -128.82 153.22 79.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.99 130.78 13.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 54' ' ' ILE . 12.7 mt -100.66 -48.37 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.09 146.66 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -109.92 117.3 33.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -74.61 155.07 38.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.962 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.69 136.8 32.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 74' ' ' ASN . . . -45.76 136.44 6.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -75.04 -55.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' A' ' 22' ' ' THR . 26.4 ttt -137.36 163.14 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 75' ' ' ARG . 93.4 m -68.92 116.95 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.9 -164.46 14.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.0 m -124.81 136.67 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.87 HD13 ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -68.5 121.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -97.77 -51.35 4.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -129.96 148.0 51.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 43' ' ' MET . 35.3 t -129.83 97.79 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -93.4 48.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 28' ' ' VAL . 35.5 m -146.36 -178.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -179.56 175.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.1 145.79 37.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.6 26.03 61.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' THR . 8.7 t0 -93.28 173.14 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -125.97 132.26 52.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.55 163.32 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -128.6 133.43 48.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -40.18 115.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.2 34.04 5.77 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -112.73 144.48 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -72.16 97.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 56' ' ' SER . 50.5 mt -70.66 -68.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.619 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.16 176.16 8.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.2 t -127.07 127.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.87 ' HG2' HD13 ' A' ' 25' ' ' ILE . 79.1 mtp -110.27 169.17 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -134.4 121.89 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.07 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mtm -100.96 62.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.97 25.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.11 149.07 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.22 117.19 29.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -102.37 132.83 48.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -98.77 100.07 11.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 mp -72.6 96.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -79.54 136.84 36.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.54 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -61.34 144.93 91.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.37 5.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.671 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 1.9 pttt -161.87 173.33 14.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.72 150.03 36.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.19 172.38 39.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 63.8 m -103.63 101.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 77.5 t -43.44 114.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -71.83 -58.35 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.7 149.0 16.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.447 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 6.5 t -87.96 149.41 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 21.2 m-85 -107.22 -32.11 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -122.03 152.79 39.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -127.66 -179.59 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.38 136.08 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.88 33.97 65.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -122.21 139.49 53.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 0.805 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.64 146.49 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.54 157.85 45.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.771 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 5.0 t30 -89.1 169.82 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 1.5 mtm180 -77.76 7.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -147.74 61.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.56 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 1.8 p -143.04 148.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.03 130.59 13.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 mt -90.67 -47.26 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.412 HG23 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -137.87 130.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.7 tt0 -92.08 119.91 32.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.79 152.7 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 . . . . . 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.12 27.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -109.58 125.05 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.72 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -41.96 127.82 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.68 20.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.466 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 2.2 ptp -166.94 163.92 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.6 m -75.35 112.53 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.06 -171.51 19.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 16.8 m -116.36 150.7 37.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.66 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.6 mm -80.58 128.28 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 5.6 tp10 -107.03 -44.4 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.22 146.79 43.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.643 HG22 ' HG2' ' A' ' 43' ' ' MET . 37.6 t -130.57 97.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -95.28 49.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 27.7 m -148.67 -168.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.18 -169.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.68 142.01 29.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.55 24.01 72.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 61' ' ' THR . 3.3 t0 -97.51 171.92 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.766 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.13 134.07 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 m -132.65 178.99 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -132.55 135.97 46.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.14 124.37 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.18 42.05 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.84 147.99 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -72.96 88.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.457 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 95.5 mt -67.34 -67.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.643 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.97 176.53 8.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.41 125.01 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.66 ' HG2' HD13 ' A' ' 25' ' ' ILE . 83.6 mtp -106.16 168.27 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.894 HD13 ' HA ' ' A' ' 51' ' ' GLU . 19.9 mm -134.06 127.37 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.42 -95.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.43 ' C ' ' N ' ' A' ' 50' ' ' MET . 14.5 mtt -73.43 72.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' MET . 16.1 mmtt 40.37 29.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 1.5 ttt -138.84 152.62 47.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.894 ' HA ' HD13 ' A' ' 46' ' ' ILE . 1.9 pt-20 -101.83 137.36 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.476 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 2.0 m-70 -124.79 136.38 53.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -84.97 113.71 21.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 45' ' ' MET . 5.5 mm -71.74 100.78 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 142.76 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.433 ' OG ' HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -67.96 141.99 94.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.06 -32.13 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -160.26 -173.84 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.21 150.02 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.49 164.64 17.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.855 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.9 m -98.45 107.74 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 60.7 t -43.31 120.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -81.31 -56.95 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -153.45 149.72 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.5 HG22 HG12 ' A' ' 80' ' ' VAL . 46.3 t -97.92 149.38 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.61 -37.83 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 71.8 m-85 -115.86 147.79 40.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -125.62 -178.3 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.6 135.94 50.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.31 38.65 91.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.22 142.83 44.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -94.15 108.87 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -100.59 162.08 13.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.473 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.6 t30 -117.79 168.11 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 21' ' ' MET . 8.5 ttt180 -70.91 119.72 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HG2' ' A' ' 75' ' ' ARG . 5.6 m170 80.83 50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 74' ' ' ASN . 48.5 p -124.84 152.56 69.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.48 6.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 19' ' ' ALA . 24.6 mt -93.82 -54.61 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 65' ' ' VAL . 1.9 m -137.91 149.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.19 153.15 21.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -107.91 155.07 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.454 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.02 128.46 11.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.37 132.26 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.93 145.11 65.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -30.03 7.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.772 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' THR . 3.9 ttt -178.34 161.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 73' ' ' ALA . 36.3 m -57.97 109.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.49 -154.43 6.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.7 m -131.92 132.46 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.7 HD13 ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -73.69 115.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.74 -53.11 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -131.43 154.71 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 43' ' ' MET . 53.5 t -136.57 100.68 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.99 50.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -149.13 -177.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.05 167.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 145.6 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.05 20.35 60.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 22.8 t0 -92.6 168.27 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HD3' HG23 ' A' ' 61' ' ' THR . 2.2 mmtp -123.22 133.18 54.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.95 176.93 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 2.1 mttt -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.84 117.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.0 31.81 14.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.44 147.22 26.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -70.08 87.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 56' ' ' SER . 81.5 mt -65.37 -68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.453 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.12 176.52 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.54 122.46 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.7 ' HG2' HD13 ' A' ' 25' ' ' ILE . 70.5 mtp -105.71 169.39 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -140.14 101.52 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -131.42 165.19 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 50.61 24.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt 67.76 17.82 9.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.469 ' O ' ' CE1' ' A' ' 52' ' ' HIS . 16.8 tpp -128.4 145.6 51.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.19 146.12 37.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.524 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.5 m-70 -133.99 160.07 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -118.78 107.77 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 45' ' ' MET . 9.8 mm -75.01 98.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -88.35 156.73 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.2 t -79.8 136.95 54.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.79 7.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -161.63 169.23 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.99 148.93 29.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.69 165.72 24.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 45.9 m -87.95 107.8 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.2 t -45.85 108.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -65.52 -59.18 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -163.13 148.52 11.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 80' ' ' VAL . 4.0 t -95.8 140.05 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 49.1 m-85 -96.86 -26.99 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.409 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 79.1 m-85 -119.51 148.93 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -125.75 -173.16 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.51 147.29 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 45.2 56.51 6.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.82 167.83 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -104.67 113.55 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 22' ' ' THR . . . -89.82 163.8 14.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.564 ' HB2' HG21 ' A' ' 77' ' ' THR . 5.4 m-20 -117.15 168.44 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp85 -83.27 93.95 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.4 m170 88.7 70.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -140.12 153.94 69.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.94 106.61 2.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.405 HD13 HG21 ' A' ' 54' ' ' ILE . 29.2 mt -72.3 -51.75 19.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.454 HG23 ' CD ' ' A' ' 17' ' ' PRO . 2.5 m -130.06 163.73 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.1 tt0 -124.84 127.19 46.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -83.58 154.15 23.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 . . . . . 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' ALA . 63.5 mt -100.07 115.44 29.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -40.28 143.78 0.61 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.98 -41.14 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -147.57 179.08 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 73' ' ' ALA . 7.5 m -84.68 113.03 21.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.61 -165.45 11.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ILE . 40.6 m -120.0 142.97 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.705 HD13 ' HG2' ' A' ' 45' ' ' MET . 18.6 mm -75.0 122.18 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -97.99 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -136.22 146.27 46.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.511 HG22 ' HG2' ' A' ' 43' ' ' MET . 25.2 t -128.09 99.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.06 50.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.6 m -148.55 -178.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 179.88 174.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 146.23 39.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.75 21.71 58.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' THR . 9.0 t0 -90.46 171.31 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HD3' HG23 ' A' ' 61' ' ' THR . 2.9 mmtp -126.22 133.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.496 HG11 ' CD2' ' A' ' 42' ' ' LEU . 14.3 m -135.4 168.75 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -127.94 135.79 50.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.98 118.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.77 36.9 7.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.49 145.95 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -69.79 87.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD2' HG11 ' A' ' 36' ' ' VAL . 96.5 mt -67.11 -68.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.511 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.27 176.32 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.2 t -124.26 133.86 68.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.705 ' HG2' HD13 ' A' ' 25' ' ' ILE . 68.1 mtp -115.79 169.11 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.808 HD13 ' HA ' ' A' ' 51' ' ' GLU . 14.7 mm -140.28 107.85 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -108.66 -99.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 50' ' ' MET . 7.1 mtp -66.85 68.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.1 mmtt 39.94 30.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 48' ' ' MET . 1.5 mtt -130.9 158.22 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.808 ' HA ' HD13 ' A' ' 46' ' ' ILE . 5.6 tt0 -97.64 138.32 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -130.4 150.34 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 m -105.53 111.31 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.0 mm -71.6 97.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.85 134.99 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -62.0 142.79 95.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -33.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -163.99 168.94 18.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.13 146.68 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.26 -171.63 44.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 52.6 m -113.25 103.31 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 75.5 t -42.95 118.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -76.24 -57.4 3.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -162.35 141.34 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' CG1' ' A' ' 80' ' ' VAL . 3.9 t -90.31 137.99 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -99.92 -24.3 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 65' ' ' VAL . 51.1 m-85 -120.37 144.59 47.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.409 ' HA ' HG21 ' A' ' 28' ' ' VAL . 4.7 mmt180 -127.81 -179.25 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.05 129.21 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.25 28.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.06 139.58 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -89.17 111.67 22.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 22' ' ' THR . . . -105.89 164.49 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.427 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -118.57 169.63 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 22' ' ' THR . 17.4 mtm180 -66.72 124.42 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 66.87 63.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.427 HG21 ' CB ' ' A' ' 74' ' ' ASN . 18.4 p -128.45 152.05 77.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.86 4.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 19' ' ' ALA . 48.9 mt -89.94 -51.84 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.514 ' CG1' HG13 ' A' ' 65' ' ' VAL . 2.6 m -133.5 164.33 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 118.26 25.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -77.71 153.05 33.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.986 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 162.9 36.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.3 mt -122.76 127.18 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . . . -47.01 136.57 8.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.99 -17.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.809 . . . . 0.0 110.977 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.409 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER 178.61 159.88 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m -57.93 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.11 -170.62 16.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.6 m -122.91 136.52 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.649 HD13 ' CG ' ' A' ' 45' ' ' MET . 27.9 mm -72.04 104.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.9 tp10 -74.36 -43.09 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.77 164.11 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.911 HG22 ' SD ' ' A' ' 43' ' ' MET . 44.8 t -144.54 96.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.88 50.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.435 HG21 HG11 ' A' ' 80' ' ' VAL . 31.3 m -151.22 -176.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.58 -167.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.3 142.37 27.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.21 20.76 69.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.749 ' O ' HG23 ' A' ' 61' ' ' THR . 0.6 OUTLIER -95.33 161.6 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 142.91 46.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.64 159.99 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -108.09 134.45 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.12 113.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.41 44.41 2.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.54 143.72 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -71.19 84.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.437 ' C ' ' HG2' ' A' ' 43' ' ' MET . 61.7 mt -57.88 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.911 ' SD ' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.39 178.23 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 92.6 t -125.79 132.87 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.649 ' CG ' HD13 ' A' ' 25' ' ' ILE . 4.2 mtp -112.31 164.89 12.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 10.4 mm -136.56 111.74 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.28 -73.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mtp -96.59 62.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 45.51 26.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 mmm -125.48 151.09 46.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -86.37 121.36 28.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.471 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 4.8 m-70 -107.84 117.43 34.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.623 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -90.48 98.54 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.5 mp -71.06 94.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -80.16 139.53 36.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.79 140.61 85.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.03 14.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -164.91 -179.85 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -86.92 139.45 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.29 165.15 31.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 34' ' ' ASP . 49.3 m -97.44 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.6 t -44.48 119.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -73.4 -56.72 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -152.96 168.51 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.67 HG13 HG12 ' A' ' 80' ' ' VAL . 3.5 t -122.89 134.51 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 47.1 m-85 -116.88 25.58 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 56.2 m-85 -158.27 141.18 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -130.54 -174.24 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -59.58 126.11 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.15 41.68 38.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.44 138.46 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.35 121.09 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.96 163.09 17.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.422 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.4 OUTLIER -118.36 168.04 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp180 -70.57 120.03 15.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER 81.14 51.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 45.6 p -125.96 145.0 50.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.97 108.51 2.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.435 1.755 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.54 -45.1 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.67 HG12 HG13 ' A' ' 65' ' ' VAL . 4.5 m -137.93 167.55 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -123.84 155.3 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -112.55 151.95 29.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.757 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 76' ' ' HIS . 10.7 mt -68.2 155.92 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 74' ' ' ASN . . . -60.06 139.18 91.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -28.22 9.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.77 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.425 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 10.5 ttm -169.68 153.27 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 m -57.95 105.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.84 -169.36 17.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' ILE . 94.1 m -118.62 146.52 44.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 110.445 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.745 HD13 ' HG2' ' A' ' 45' ' ' MET . 15.5 mm -73.39 122.99 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -99.5 -51.02 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.41 148.94 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.588 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.5 t -130.05 100.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -99.22 50.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.756 HG21 HG11 ' A' ' 80' ' ' VAL . 31.3 m -149.13 -175.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.484 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -175.66 -166.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.14 148.75 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 61.5 21.14 59.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.468 ' OD1' ' CE ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -95.81 168.03 10.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -126.01 127.82 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.02 158.49 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.08 135.25 50.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.77 113.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.49 46.05 2.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.99 141.25 48.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -67.63 91.15 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.589 HD11 ' HA ' ' A' ' 56' ' ' SER . 67.6 mt -63.71 -71.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.588 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -140.34 176.43 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.8 t -125.83 132.58 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.745 ' HG2' HD13 ' A' ' 25' ' ' ILE . 75.3 mtp -114.78 168.81 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.6 mm -134.52 122.02 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -125.84 -73.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -103.05 63.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 47.05 28.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -127.22 147.11 50.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -90.26 114.92 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . 0.522 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.2 m-70 -98.98 120.43 39.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -90.29 100.41 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -71.59 99.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -82.06 137.62 35.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.589 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -57.37 143.19 74.65 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.69 5.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 -173.62 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.32 137.81 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.53 -176.67 48.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 34' ' ' ASP . 15.3 m -108.19 123.14 48.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 95.5 t -68.9 109.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -67.98 -46.0 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.4 177.95 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 66' ' ' PHE . 6.0 t -115.71 172.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.56 ' H ' HG12 ' A' ' 65' ' ' VAL . 39.8 m-85 -122.32 -38.68 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 54.3 m-85 -127.16 153.46 46.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 8.3 mtt-85 -122.95 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -54.07 146.51 14.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.43 44.82 77.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -122.06 155.7 35.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -110.38 136.54 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.413 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . . . -142.42 127.93 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m-20 -69.34 158.53 34.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CG ' ' HA ' ' A' ' 21' ' ' MET . 20.5 ttp-105 -69.87 60.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . 0.618 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -174.13 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.633 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.4 p -59.09 150.73 60.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.547 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 152.76 41.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 19' ' ' ALA . 3.5 mt -106.03 -53.87 2.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.756 HG11 HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.99 140.72 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.1 tt0 -96.37 124.41 40.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.97 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.946 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 130.91 13.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.58 117.76 28.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -42.55 148.44 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.78 6.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.418 ' CG ' ' N ' ' A' ' 22' ' ' THR . 11.3 ttp -179.18 156.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 73' ' ' ALA . 58.6 m -58.0 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -136.51 -156.85 7.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' MET . 26.4 m -124.1 131.85 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ILE . . . . . 0.687 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.5 mm -71.72 113.75 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.24 -53.07 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -131.62 157.07 44.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.548 HG22 ' HG2' ' A' ' 43' ' ' MET . 28.0 t -137.86 98.39 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.54 51.27 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 30.9 m -150.4 -175.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.99 -165.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -99.08 143.38 29.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.52 26.48 69.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 61' ' ' THR . 0.4 OUTLIER -100.7 157.39 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 132.41 56.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.94 162.32 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 133.94 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.49 113.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.87 42.59 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.99 144.48 38.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -71.1 83.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 62.9 mt -54.28 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' MET . . . . . 0.548 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.96 176.41 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.3 t -126.0 132.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' MET . . . . . 0.687 ' HG2' HD13 ' A' ' 25' ' ' ILE . 85.7 mtp -117.17 166.04 12.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 51' ' ' GLU . 15.0 mm -139.09 106.94 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.66 -98.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.438 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -93.83 87.12 5.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 29.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mmt -128.52 150.82 50.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.702 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.8 tt0 -105.36 139.45 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.74 133.53 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -99.75 101.47 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.9 mp -71.11 95.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.77 151.16 28.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.485 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -66.2 140.52 96.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.957 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -31.06 6.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -161.39 172.74 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.52 120.74 23.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.95 169.36 37.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 2.2 m -104.27 104.51 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.0 t -44.89 116.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -74.19 -56.37 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -157.79 147.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 11.7 t -95.9 145.85 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -106.25 -25.98 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' TYR . . . . . 0.493 ' CD1' ' HA ' ' A' ' 79' ' ' LEU . 51.9 m-85 -118.85 152.02 37.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -131.74 -177.28 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -53.9 144.66 18.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.23 53.42 27.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -121.32 159.07 26.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -95.3 111.21 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.881 ' O ' HG23 ' A' ' 22' ' ' THR . . . -85.79 164.3 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASN . . . . . 0.602 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.5 OUTLIER -114.18 168.95 9.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -81.45 99.6 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 73.81 75.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . 0.602 HG21 ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -139.59 153.76 70.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.08 95.2 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 5.6 mt -71.67 -59.03 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.6 148.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.34 142.4 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -102.31 153.72 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.6 m -154.83 153.21 30.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.541 0.789 . . . . 0.0 109.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.74 105.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.964 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.63 174.17 49.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.434 1.084 . . . . 0.0 111.004 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER 179.8 -40.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 109.998 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 t 68.65 158.23 0.15 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.124 . . . . 0.0 110.008 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.2 75.94 0.2 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.551 1.157 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -164.12 158.87 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.249 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 p -98.73 -38.77 8.96 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.1 . . . . 0.0 110.006 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.9 m -144.91 -81.09 0.16 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.449 1.093 . . . . 0.0 110.017 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -150.83 103.85 3.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.258 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -46.45 -52.09 13.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 110.3 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.446 ' HB ' HD11 ' A' ' 18' ' ' LEU . 9.2 t -139.73 166.28 25.03 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.129 . . . . 0.0 110.443 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -174.77 125.81 0.29 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.102 . . . . 0.0 110.346 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 57.24 84.62 0.04 OUTLIER Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 139.32 145.45 4.74 Favored Glycine 0 CA--C 1.531 1.041 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -74.96 174.8 12.15 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.501 1.79 . . . . 0.0 111.002 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.446 HD11 ' HB ' ' A' ' 13' ' ' THR . 56.1 mt -134.33 126.37 29.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -47.72 148.78 2.48 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.284 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -54.34 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.796 . . . . 0.0 110.995 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -147.51 176.3 10.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 110.989 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.6 m -65.61 109.0 2.23 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.489 1.118 . . . . 0.0 110.416 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.81 -168.11 13.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 96.6 m -127.07 134.57 50.24 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.524 0.779 . . . . 0.0 110.421 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.677 HD13 ' CG ' ' A' ' 45' ' ' MET . 32.6 mm -68.16 115.29 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.439 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 22.4 tp10 -88.49 -49.37 6.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 0.0 110.327 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 mmtt -132.35 160.64 35.7 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.544 1.152 . . . . 0.0 109.338 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.563 HG22 ' HG2' ' A' ' 43' ' ' MET . 53.9 t -141.48 104.49 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -103.51 50.76 0.8 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.114 . . . . 0.0 111.025 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.48 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.8 m -149.39 -175.98 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.475 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.25 166.06 0.43 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 0.0 109.294 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.74 148.86 48.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 109.327 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 58.13 27.37 59.95 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.517 1.136 . . . . 0.0 110.989 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.475 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 25.6 t0 -98.05 173.05 7.23 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 0.776 . . . . 0.0 109.293 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.0 mmtp -126.05 127.85 46.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 9.6 m -127.08 174.0 11.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.137 . . . . 0.0 109.303 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 1.2 mttm -132.57 133.56 43.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.13 120.08 1.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 1.101 . . . . 0.0 109.337 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.44 39.07 7.94 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.72 148.82 32.64 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.523 0.778 . . . . 0.0 109.327 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.441 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.5 OUTLIER -73.35 96.46 2.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.96 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.48 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 90.7 mt -73.02 -67.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.267 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.563 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.38 176.15 9.01 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.503 1.127 . . . . 0.0 110.997 -179.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 94.3 t -124.85 132.67 71.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.545 1.153 . . . . 0.0 109.324 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.677 ' CG ' HD13 ' A' ' 25' ' ' ILE . 5.8 mtp -113.96 165.18 12.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.439 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 12.3 mm -137.72 109.85 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.424 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.57 -79.31 0.59 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.123 . . . . 0.0 109.293 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -87.55 54.63 3.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.114 . . . . 0.0 111.005 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.7 mttm 49.99 23.46 1.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 18.8 ttp -123.44 149.84 44.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -84.21 116.1 22.77 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.594 ' O ' HD12 ' A' ' 54' ' ' ILE . 3.8 m-70 -106.71 100.82 10.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 109.592 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.441 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 81.5 m -74.23 101.56 4.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.498 1.124 . . . . 0.0 110.401 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.594 HD12 ' O ' ' A' ' 52' ' ' HIS . 1.4 mp -70.95 96.04 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 109.273 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -79.08 145.98 33.49 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.286 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.406 ' OG ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -70.24 139.55 87.37 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.144 . . . . 0.0 109.994 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.425 ' O ' ' CG ' ' A' ' 58' ' ' LYS . 18.4 Cg_endo -75.0 -30.65 6.93 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.438 1.757 . . . . 0.0 111.032 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.425 ' CG ' ' O ' ' A' ' 57' ' ' PRO . 0.4 OUTLIER -154.08 -176.37 5.83 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 109.291 -179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -98.93 153.84 18.52 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.121 . . . . 0.0 109.274 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.92 172.16 32.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.487 1.117 . . . . 0.0 110.97 179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.414 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 77.6 m -93.21 107.11 18.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 0.0 110.401 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.442 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 53.9 t -44.11 118.7 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -75.7 -52.84 9.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.496 1.123 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -170.34 146.45 2.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.334 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.88 HG13 ' CG1' ' A' ' 80' ' ' VAL . 2.4 t -101.58 135.91 35.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.475 1.109 . . . . 0.0 109.296 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.591 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 49.6 m-85 -106.57 25.18 11.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 111.04 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.591 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 28.8 m-85 -157.52 149.39 22.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.482 1.114 . . . . 0.0 111.024 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.479 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -140.51 -176.05 4.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.49 1.119 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -57.89 129.55 42.45 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.31 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 76.52 32.39 51.21 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.467 1.104 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . . . -100.49 152.43 20.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.53 0.782 . . . . 0.0 109.311 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.5 tt0 -110.2 115.81 30.39 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . . . -107.54 164.21 12.41 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.263 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.527 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.5 t30 -117.62 168.03 10.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.81 117.97 8.31 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.3 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 16.5 m170 71.7 64.24 0.14 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.602 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.527 HG21 ' CB ' ' A' ' 74' ' ' ASN . 23.5 p -130.54 153.79 81.51 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 123.31 7.78 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.471 1.774 . . . . 0.0 110.979 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 39.4 mt -100.92 -48.3 4.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.547 1.154 . . . . 0.0 109.358 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.88 ' CG1' HG13 ' A' ' 65' ' ' VAL . 0.6 OUTLIER -139.12 152.65 23.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.06 131.24 56.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.308 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -84.78 153.28 23.1 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.105 . . . . 0.0 110.976 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -72.1 154.18 41.25 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.258 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -46.61 128.16 10.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -74.59 136.74 42.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.468 1.105 . . . . 0.0 110.253 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -131.04 149.24 52.7 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.298 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 49.88 89.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.545 1.153 . . . . 0.0 110.023 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.5 t0 177.71 97.42 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.9 116.36 31.81 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.536 1.148 . . . . 0.0 109.269 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.97 164.76 12.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.98 159.36 16.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 110.317 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -159.36 164.51 34.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.122 . . . . 0.0 109.973 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -149.9 141.0 23.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.258 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 56.5 p -130.06 163.33 26.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 110.031 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -150.88 166.19 30.33 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.524 1.14 . . . . 0.0 110.986 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 154.19 42.53 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.502 1.791 . . . . 0.0 111.024 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 91.0 p -121.52 151.41 40.33 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.47 1.106 . . . . 0.0 109.982 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -79.82 -58.48 3.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.519 1.137 . . . . 0.0 109.97 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.135 . . . . 0.0 111.008 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -174.83 87.67 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 0.803 . . . . 0.0 109.985 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 75.79 -62.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.529 1.143 . . . . 0.0 109.971 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 97.87 -119.36 6.4 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.48 1.112 . . . . 0.0 111.019 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -81.07 124.25 29.05 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.473 0.749 . . . . 0.0 110.017 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.5 p -114.99 -56.36 2.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.98 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -69.31 101.82 0.87 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.549 1.156 . . . . 0.0 110.981 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 11.4 p -98.45 146.87 7.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.503 0.766 . . . . 0.0 109.321 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 26.9 p -170.31 -58.46 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.968 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 32.3 t 65.34 82.32 0.19 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.018 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -116.1 156.3 26.66 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.121 . . . . 0.0 110.306 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.37 136.58 56.6 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 0.0 110.301 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.3 m -142.0 137.66 31.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.492 1.12 . . . . 0.0 110.391 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 pm0 -154.45 58.54 0.7 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.282 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -155.31 93.01 0.13 Allowed Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.499 1.124 . . . . 0.0 111.054 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 81.97 173.05 48.17 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.476 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -74.93 168.0 25.82 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.463 1.77 . . . . 0.0 111.001 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 63.9 mt -126.6 127.41 45.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 109.278 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.776 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -48.64 145.18 6.18 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.284 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -50.84 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.511 1.795 . . . . 0.0 110.997 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -142.7 167.72 21.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.6 m -73.87 105.15 5.01 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.542 1.151 . . . . 0.0 110.412 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.24 -155.62 6.51 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.533 1.145 . . . . 0.0 111.021 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.408 ' HA ' ' O ' ' A' ' 71' ' ' ALA . 55.3 m -127.23 145.93 50.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 110.415 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.699 HD13 ' HG2' ' A' ' 45' ' ' MET . 8.5 mm -75.67 120.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.447 1.092 . . . . 0.0 109.322 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -96.01 -48.42 5.7 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.3 mmpt? -136.0 156.47 48.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 109.293 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.591 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.7 t -137.47 100.96 1.99 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.0 m-85 -100.21 50.53 0.9 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.994 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.502 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 29.2 m -149.69 -174.24 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.83 -165.06 0.09 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.249 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.421 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.24 145.36 28.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 62.11 25.7 66.62 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.416 ' O ' ' HA ' ' A' ' 61' ' ' THR . 0.3 OUTLIER -100.38 158.6 15.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 0.765 . . . . 0.0 109.299 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.35 132.65 56.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -132.37 161.9 40.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.438 1.086 . . . . 0.0 109.32 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 134.17 51.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 109.271 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.55 114.15 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.519 1.137 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.63 41.91 3.27 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.496 1.123 . . . . 0.0 111.003 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -111.06 143.19 42.17 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 0.789 . . . . 0.0 109.304 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 47.2 p -68.74 91.17 0.43 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.529 1.143 . . . . 0.0 109.987 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.602 HD11 ' HA ' ' A' ' 56' ' ' SER . 33.8 mt -62.67 -69.7 0.25 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.13 . . . . 0.0 109.285 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.591 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.31 176.5 8.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.131 . . . . 0.0 110.998 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 71.9 t -126.6 129.8 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.531 1.144 . . . . 0.0 109.294 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.699 ' HG2' HD13 ' A' ' 25' ' ' ILE . 72.2 mtp -111.96 169.28 8.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 7.8 mm -135.38 121.96 33.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.523 1.139 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.55 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -122.23 -72.88 0.67 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.533 1.146 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.401 ' C ' ' N ' ' A' ' 50' ' ' MET . 4.0 mtt -109.13 74.53 0.91 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 111.002 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.39 31.2 0.16 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.122 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.401 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.9 mmt -131.42 148.3 52.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -95.23 120.37 35.35 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.49 1.119 . . . . 0.0 110.296 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.55 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.7 m-70 -102.41 128.14 49.13 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 109.596 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 26.1 m -97.22 98.87 10.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 110.421 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.437 ' O ' HG22 ' A' ' 54' ' ' ILE . 2.3 mp -70.99 94.99 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.1 mmtp -79.99 136.73 36.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.602 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -57.06 141.48 76.28 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.415 1.072 . . . . 0.0 110.029 179.975 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -26.45 10.97 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.482 1.78 . . . . 0.0 110.987 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.8 pttt -165.8 173.41 10.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 0.0 109.343 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -78.97 128.57 33.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.288 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -168.93 161.56 35.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.436 1.085 . . . . 0.0 111.013 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.416 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 6.3 m -96.79 103.73 15.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 0.765 . . . . 0.0 110.426 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 62.6 t -44.24 119.52 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.445 1.091 . . . . 0.0 109.295 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 73.9 tttt -79.24 -56.04 4.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.14 143.22 16.57 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.537 HG13 HG12 ' A' ' 80' ' ' VAL . 10.6 t -92.19 150.52 3.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -108.72 -29.63 8.6 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 77.5 m-85 -118.68 143.54 46.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.501 1.125 . . . . 0.0 110.982 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtt180 -123.08 -175.3 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.11 . . . . 0.0 110.323 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -56.18 136.42 52.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 110.295 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 63.26 49.31 71.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.517 1.136 . . . . 0.0 110.99 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.408 ' O ' ' HA ' ' A' ' 24' ' ' THR . . . -118.4 149.62 40.92 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.5 0.765 . . . . 0.0 109.296 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.6 tt0 -98.21 112.45 24.42 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 110.332 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.83 164.08 12.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.737 ' HB2' HG21 ' A' ' 77' ' ' THR . 3.3 m-80 -114.12 167.7 10.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.56 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 24.7 ttp180 -70.5 112.18 6.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.431 1.082 . . . . 0.0 110.274 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.6 m170 80.86 60.82 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.478 1.111 . . . . 0.0 109.576 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.737 HG21 ' HB2' ' A' ' 74' ' ' ASN . 8.1 p -127.63 152.85 77.39 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 110.398 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.53 1.805 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.776 HD21 ' HB2' ' A' ' 19' ' ' ALA . 51.6 mt -81.13 -52.21 7.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.27 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.537 HG12 HG13 ' A' ' 65' ' ' VAL . 4.3 m -130.24 161.08 40.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.124 . . . . 0.0 109.287 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -120.97 128.97 53.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.551 1.157 . . . . 0.0 110.269 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 15.9 m-85 -83.5 155.04 23.56 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.449 1.093 . . . . 0.0 111.017 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -69.99 170.0 12.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 110.306 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -73.21 99.0 2.74 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.451 1.094 . . . . 0.0 110.276 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -76.51 -177.48 4.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 0.0 110.323 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -52.11 172.12 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.297 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -84.68 -57.43 3.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 109.97 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -117.69 91.95 3.71 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 53.83 175.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -85.1 169.75 13.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.332 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -41.24 -56.32 2.43 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 110.306 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 54.29 170.04 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 109.989 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -138.98 76.89 1.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 110.346 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.6 m -123.09 167.19 13.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.443 1.089 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -132.78 157.24 22.52 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -178.24 4.03 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.505 1.792 . . . . 0.0 111.0 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 68.0 m 64.79 133.6 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.599 1.187 . . . . 0.0 110.035 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.1 t -171.28 78.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.145 . . . . 0.0 109.981 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.023 -179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.4 p -127.89 170.23 13.06 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 0.746 . . . . 0.0 110.034 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -111.46 169.33 8.87 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.007 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.68 107.77 0.45 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.464 1.103 . . . . 0.0 111.009 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -131.84 164.94 24.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 0.752 . . . . 0.0 110.051 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.69 158.92 22.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.995 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.85 118.66 13.8 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.48 1.113 . . . . 0.0 110.99 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 63.7 t -83.89 114.93 25.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.515 0.774 . . . . 0.0 109.296 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.1 t -161.31 162.77 31.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 0.0 110.004 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 2.0 m 61.14 162.58 0.07 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 109.946 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 tt0 -52.1 -61.27 2.37 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 110.303 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 62.07 141.98 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 53.2 m -145.82 131.55 18.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.363 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -155.53 130.14 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.446 1.091 . . . . 0.0 110.349 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -136.62 78.35 0.33 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.28 -176.9 20.6 Favored Glycine 0 CA--C 1.53 0.979 0 N-CA-C 111.034 -0.826 . . . . 0.0 111.034 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 163.1 35.92 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.508 1.794 . . . . 0.0 110.978 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 86.9 mt -123.56 141.55 51.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.32 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.758 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -53.69 138.83 51.69 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.98 -36.22 2.7 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.448 1.762 . . . . 0.0 111.019 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 10.5 ttt -161.66 172.6 16.01 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.551 1.157 . . . . 0.0 110.946 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 26.0 m -70.52 123.3 21.47 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.456 1.097 . . . . 0.0 110.381 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.1 -157.35 9.08 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.48 1.113 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.422 ' C ' ' SD ' ' A' ' 45' ' ' MET . 60.0 m -133.04 129.66 38.38 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 0.768 . . . . 0.0 110.404 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.939 HD13 ' HG2' ' A' ' 45' ' ' MET . 14.3 mm -63.65 101.32 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.526 1.142 . . . . 0.0 109.298 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 44' ' ' VAL . 3.5 tp10 -67.15 -52.11 45.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 110.312 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.84 172.65 12.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.322 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.505 HG22 ' HG2' ' A' ' 43' ' ' MET . 47.3 t -149.22 100.43 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.529 1.143 . . . . 0.0 109.303 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -98.93 51.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.434 HG21 HG11 ' A' ' 80' ' ' VAL . 27.5 m -149.4 -173.57 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.28 -164.23 0.09 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.331 179.936 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.459 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -102.13 143.15 32.31 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.135 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.74 25.79 70.67 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.454 1.096 . . . . 0.0 111.039 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.917 ' O ' HG23 ' A' ' 61' ' ' THR . 0.4 OUTLIER -98.47 169.89 9.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.509 0.77 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.17 129.8 49.73 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.488 1.117 . . . . 0.0 109.33 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.41 174.7 9.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.15 135.97 48.76 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 -179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.38 122.97 1.68 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.53 45.14 6.22 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.49 1.119 . . . . 0.0 110.98 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 -121.63 137.55 54.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 0.765 . . . . 0.0 109.317 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.4 p -62.51 103.63 0.43 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.991 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.481 HD11 ' HA ' ' A' ' 56' ' ' SER . 83.1 mt -79.89 -67.19 0.79 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.148 . . . . 0.0 109.337 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.505 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.27 176.19 8.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.997 179.978 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.2 t -124.73 137.61 56.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.939 ' HG2' HD13 ' A' ' 25' ' ' ILE . 7.9 mmm -122.81 162.07 22.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 111.026 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.5 mm -134.85 113.2 15.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.332 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.463 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -112.37 -69.19 0.88 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.426 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -113.17 76.26 0.97 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 111.037 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 41.06 29.61 0.08 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.448 1.093 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.426 ' N ' ' C ' ' A' ' 48' ' ' MET . 0.1 OUTLIER -130.96 146.95 52.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.093 . . . . 0.0 110.983 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -94.25 123.88 37.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.523 1.14 . . . . 0.0 110.321 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.463 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.4 m-70 -110.4 109.64 20.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.521 1.138 . . . . 0.0 109.603 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 66.8 m -83.33 97.39 8.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.489 1.118 . . . . 0.0 110.448 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.493 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.9 mp -71.39 94.97 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mttp -81.04 143.99 32.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.125 . . . . 0.0 109.329 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.481 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -58.81 137.79 86.96 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.995 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -23.98 13.25 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.461 1.769 . . . . 0.0 110.995 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.6 ptpt -165.08 178.87 6.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 109.336 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -78.48 152.16 32.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.302 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 164.93 172.17 32.06 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.48 1.112 . . . . 0.0 111.038 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.917 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.6 m -114.4 106.56 14.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 0.777 . . . . 0.0 110.397 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.3 t -43.32 122.09 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttt -85.54 -56.53 3.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.136 . . . . 0.0 109.315 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.3 OUTLIER -149.46 141.87 24.27 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.522 1.139 . . . . 0.0 109.31 179.958 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 66' ' ' PHE . 43.9 t -93.17 163.7 2.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.346 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.489 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 61.0 m-85 -120.41 -37.23 3.07 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.043 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.428 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 42.3 m-85 -125.1 138.77 54.17 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.437 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -114.88 -169.66 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.27 131.78 51.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.284 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.59 30.99 61.22 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.532 1.145 . . . . 0.0 111.037 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -102.55 152.69 20.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 0.749 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -105.81 113.01 26.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.327 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -105.52 162.5 13.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 109.287 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.47 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.0 OUTLIER -118.15 168.42 10.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.263 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.559 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.0 OUTLIER -69.13 121.25 16.36 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 110.288 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.559 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 7.5 m170 78.84 51.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.47 HG21 ' CB ' ' A' ' 74' ' ' ASN . 72.8 p -126.92 156.24 74.35 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.412 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.489 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.99 129.66 12.55 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.551 1.816 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.758 HD21 ' HB2' ' A' ' 19' ' ' ALA . 10.3 mt -100.6 -54.08 2.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.545 1.153 . . . . 0.0 109.326 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.434 HG11 HG21 ' A' ' 30' ' ' VAL . 1.3 m -140.94 148.8 21.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.82 139.29 41.48 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.452 1.095 . . . . 0.0 110.299 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -96.72 153.75 17.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.997 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -73.17 165.53 24.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -72.06 101.07 2.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.305 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -48.82 172.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -127.3 -47.04 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 110.345 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.25 151.26 38.09 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.975 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 23.8 p-10 -111.86 -12.27 13.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.318 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt 57.3 166.29 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.31 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.2 ttm180 -90.2 128.76 36.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -101.38 144.45 30.17 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -53.73 156.67 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.988 -179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -179.49 154.54 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 110.276 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.2 m -94.65 168.81 10.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.023 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -101.71 149.87 18.23 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.503 1.127 . . . . 0.0 110.962 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -174.64 2.01 Favored 'Trans proline' 0 C--N 1.361 1.212 0 O-C-N 124.487 1.783 . . . . 0.0 110.996 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 7.7 t -122.6 161.87 22.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.102 . . . . 0.0 110.004 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.4 p -42.25 162.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.494 1.122 . . . . 0.0 111.001 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.2 p -156.2 168.22 27.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 0.773 . . . . 0.0 109.99 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.2 158.79 16.2 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.466 1.104 . . . . 0.0 109.993 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.04 -172.93 20.02 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.483 1.115 . . . . 0.0 110.984 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.8 m 60.38 163.35 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 0.738 . . . . 0.0 109.949 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 55.4 m -149.59 136.36 19.46 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.472 1.107 . . . . 0.0 109.997 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.83 -153.2 52.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.537 1.148 . . . . 0.0 111.002 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 8' ' ' VAL . 35.1 m -117.65 96.37 4.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.486 0.757 . . . . 0.0 109.327 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.0 p -178.66 135.79 0.14 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.988 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -59.58 140.77 56.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -155.59 98.21 1.93 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.322 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -139.4 114.52 9.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 110.302 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 14.6 t -54.44 146.93 14.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.508 1.13 . . . . 0.0 110.41 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -177.0 124.18 0.14 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.307 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 155.47 -46.3 0.52 Allowed Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.524 1.14 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 108.04 -174.66 19.31 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.427 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.01 139.39 24.21 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.48 1.779 . . . . 0.0 110.991 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.4 mt -103.45 136.02 43.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 109.325 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.815 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -55.86 147.29 43.55 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.565 1.165 . . . . 0.0 109.338 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -49.9 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.462 1.77 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.4 ptp -148.87 -179.53 7.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.408 1.067 . . . . 0.0 111.035 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.3 m -73.87 121.32 20.73 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 1.113 . . . . 0.0 110.41 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.0 -156.57 8.2 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 110.987 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 20.1 m -133.0 146.33 51.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 0.747 . . . . 0.0 110.373 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.703 HD13 ' HG2' ' A' ' 45' ' ' MET . 10.5 mm -77.34 118.05 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -93.13 -47.89 6.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -134.61 150.52 50.7 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.325 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.678 HG22 ' HG2' ' A' ' 43' ' ' MET . 20.8 t -134.47 93.22 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 0.0 109.291 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -90.31 46.76 1.37 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 110.982 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.433 HG22 HG13 ' A' ' 28' ' ' VAL . 26.9 m -146.95 -176.88 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.0 166.21 0.53 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.125 . . . . 0.0 109.261 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.76 145.32 50.5 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.335 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.75 31.61 72.02 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.473 1.108 . . . . 0.0 111.015 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.507 ' O ' HG23 ' A' ' 61' ' ' THR . 17.5 t0 -103.26 173.87 6.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.475 0.75 . . . . 0.0 109.273 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.5 mptt -124.01 131.56 53.58 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.268 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 60' ' ' GLY . 13.1 m -138.68 170.32 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.9 mtmm -134.05 137.41 44.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 109.28 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.62 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -39.87 124.77 1.81 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 106.59 -42.36 1.94 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.116 . . . . 0.0 111.036 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -41.7 142.83 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.464 0.744 . . . . 0.0 109.255 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -76.65 100.83 5.5 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.507 1.129 . . . . 0.0 110.012 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.606 HD21 ' HB2' ' A' ' 56' ' ' SER . 81.5 mt -64.15 -68.73 0.33 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.678 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.96 176.34 8.83 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.975 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.534 HG13 ' O ' ' A' ' 52' ' ' HIS . 73.0 t -127.67 131.67 69.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.703 ' HG2' HD13 ' A' ' 25' ' ' ILE . 74.1 mtp -112.63 169.12 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 110.969 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.442 ' CD1' ' HG3' ' A' ' 51' ' ' GLU . 17.1 mm -132.19 100.0 3.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.466 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -131.77 170.72 14.43 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 43.5 26.06 0.1 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.469 1.106 . . . . 0.0 110.999 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.3 mmtm 59.21 38.79 23.37 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.408 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.5 mmt -146.41 164.58 31.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.099 . . . . 0.0 110.974 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.442 ' HG3' ' CD1' ' A' ' 46' ' ' ILE . 0.6 OUTLIER -87.35 139.6 30.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 110.313 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.534 ' O ' HG13 ' A' ' 44' ' ' VAL . 5.0 m-70 -133.98 144.62 48.86 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.628 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 54.4 m -117.8 100.83 7.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.8 mp -73.97 101.6 1.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.11 . . . . 0.0 109.31 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.2 mttp -81.21 147.04 30.17 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.25 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.606 ' HB2' HD21 ' A' ' 42' ' ' LEU . 44.7 t -65.14 141.24 98.21 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.481 1.113 . . . . 0.0 109.983 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -34.28 3.98 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.561 1.822 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.62 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -164.39 161.43 21.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.132 . . . . 0.0 109.285 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.61 144.59 56.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . 0.471 ' O ' HG22 ' A' ' 36' ' ' VAL . . . 172.41 162.75 25.1 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.501 1.126 . . . . 0.0 111.016 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.0 m -95.75 103.82 15.72 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 0.763 . . . . 0.0 110.41 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.4 ' HA ' ' O ' ' A' ' 81' ' ' GLU . 42.0 t -42.93 119.83 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.12 . . . . 0.0 109.382 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.4 tttm -79.91 -53.25 6.94 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -157.11 146.15 20.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 109.267 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.798 HG13 HG12 ' A' ' 80' ' ' VAL . 2.6 t -93.74 149.76 4.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.345 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 73.9 m-85 -105.61 -28.39 10.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.153 . . . . 0.0 110.987 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 39.7 m-85 -135.26 140.07 44.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.539 1.149 . . . . 0.0 111.024 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 2.7 mtt180 -120.23 179.93 4.14 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 110.285 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -51.26 130.29 26.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.281 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 91.05 -21.98 31.43 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 0.0 110.981 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -62.02 153.18 30.38 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 0.778 . . . . 0.0 109.292 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -115.32 114.95 25.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 110.342 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -94.84 164.05 13.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.488 1.118 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -118.73 168.85 10.34 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.526 1.141 . . . . 0.0 109.33 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.5 ttt180 -61.06 117.9 6.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 110.329 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 2.8 m170 68.69 71.43 0.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 109.598 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 18.1 p -137.35 155.72 75.51 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 110.418 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.78 4.69 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.507 1.793 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.815 HD21 ' HB2' ' A' ' 19' ' ' ALA . 13.1 mt -91.1 -56.27 3.23 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.798 HG12 HG13 ' A' ' 65' ' ' VAL . 4.1 m -137.46 158.0 34.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.264 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 62' ' ' VAL . 3.4 tm-20 -115.06 149.32 37.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 -106.44 154.96 20.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -71.84 164.64 25.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.54 1.15 . . . . 0.0 110.32 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.7 mt-10 -76.17 104.67 6.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -88.77 132.77 34.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.138 . . . . 0.0 110.331 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -86.36 153.96 21.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.117 . . . . 0.0 110.302 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 8.7 t -157.53 79.14 0.87 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.955 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -70.03 97.28 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -108.32 152.79 24.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 0.0 109.305 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -144.54 99.85 3.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 110.3 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 5.8 mt-10 -119.46 171.15 8.54 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.537 1.148 . . . . 0.0 110.283 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -137.55 94.92 2.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -124.39 147.27 48.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.354 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 83.0 p -105.79 162.38 13.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 110.057 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -111.74 157.27 15.06 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.512 1.132 . . . . 0.0 110.98 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 166.39 29.31 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.498 1.788 . . . . 0.0 110.999 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -161.59 -62.28 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.994 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -179.61 168.44 1.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.023 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.522 1.139 . . . . 0.0 110.995 179.98 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.979 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.9 p 50.32 82.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 110.004 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.55 139.81 51.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 109.996 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.0 -66.36 1.08 Allowed Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.532 1.145 . . . . 0.0 111.029 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -103.27 152.75 21.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 0.741 . . . . 0.0 110.025 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.6 m -122.73 89.66 3.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 110.023 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 67.08 68.1 1.77 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 0.0 110.979 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 90.5 t -139.72 110.52 4.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 28.5 t -119.73 -57.01 2.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -130.27 -58.18 1.07 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.013 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 53.83 89.92 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.448 ' CG ' ' N ' ' A' ' 13' ' ' THR . 7.3 pt-20 -118.76 -44.56 2.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.476 1.11 . . . . 0.0 110.293 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.448 ' N ' ' CG ' ' A' ' 12' ' ' GLU . 99.2 m -121.8 142.98 49.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -161.78 159.77 27.48 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 175.25 -89.76 0.08 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.471 1.107 . . . . 0.0 110.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -92.58 -145.22 15.86 Favored Glycine 0 CA--C 1.529 0.953 0 N-CA-C 111.047 -0.821 . . . . 0.0 111.047 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.98 145.2 31.22 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.515 1.797 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 24.0 mt -106.65 130.6 54.36 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.123 . . . . 0.0 109.317 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.708 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -48.93 145.43 6.43 Favored Pre-proline 0 C--N 1.326 -0.439 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -51.96 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.531 1.806 . . . . 0.0 110.987 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -143.76 -178.16 5.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.463 1.102 . . . . 0.0 110.955 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 48.2 m -82.24 105.92 13.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -143.13 -165.73 10.81 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.507 1.13 . . . . 0.0 111.036 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 45' ' ' MET . 37.1 m -120.61 142.78 49.09 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.537 0.786 . . . . 0.0 110.405 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.726 HD13 ' HG2' ' A' ' 45' ' ' MET . 14.7 mm -72.47 116.62 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.3 tp10 -93.54 -49.0 6.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.432 1.082 . . . . 0.0 110.334 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -136.1 154.13 51.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.489 HG22 ' HG2' ' A' ' 43' ' ' MET . 48.2 t -135.33 102.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.313 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -100.18 51.23 0.9 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.971 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG11 ' HB3' ' A' ' 42' ' ' LEU . 33.4 m -152.18 -177.8 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.15 . . . . 0.0 109.269 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.96 -178.74 0.55 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -83.06 144.52 29.85 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.487 1.117 . . . . 0.0 109.328 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.87 24.62 64.85 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.482 1.114 . . . . 0.0 111.0 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' THR . 4.8 t0 -93.31 172.19 8.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.475 0.75 . . . . 0.0 109.29 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.405 ' HD3' HG23 ' A' ' 61' ' ' THR . 6.0 mmtp -126.37 129.66 49.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 109.302 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 13.7 m -129.19 170.82 17.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -129.42 135.85 49.2 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.01 120.93 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.149 . . . . 0.0 109.26 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.11 47.67 5.43 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.535 1.147 . . . . 0.0 110.97 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -121.66 139.56 53.39 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.472 0.748 . . . . 0.0 109.33 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 91.8 p -66.28 97.68 0.42 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.547 HD11 ' HA ' ' A' ' 56' ' ' SER . 20.7 mt -73.1 -65.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 0.0 109.335 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.489 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -139.92 176.25 8.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 110.983 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.2 t -126.78 132.07 70.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.31 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.726 ' HG2' HD13 ' A' ' 25' ' ' ILE . 70.9 mtp -115.49 169.15 9.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.7 mm -136.41 113.97 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.142 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.5 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.17 -72.16 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.34 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 23.5 mmm -99.9 60.99 1.1 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.964 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.2 mmtt 47.59 25.66 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 3.4 mmm -125.42 146.86 49.42 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.495 1.122 . . . . 0.0 110.987 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -85.88 119.86 26.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 110.27 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.5 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.9 m-70 -104.07 129.01 51.72 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.508 1.13 . . . . 0.0 109.616 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 13.6 m -98.19 100.33 11.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 0.0 110.392 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.456 HG22 ' O ' ' A' ' 54' ' ' ILE . 2.1 mp -73.63 95.96 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 0.0 109.301 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.4 mmtp -80.17 142.99 34.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.275 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.547 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -65.89 139.75 96.91 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.494 1.121 . . . . 0.0 110.019 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -26.58 10.77 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.477 1.778 . . . . 0.0 111.022 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.9 pttp -164.33 165.12 22.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.329 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -76.56 142.96 40.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.549 1.156 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 179.66 175.34 46.37 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.491 1.119 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 97.4 m -102.84 100.23 10.21 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 0.747 . . . . 0.0 110.423 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 90.2 t -42.82 111.6 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.3 tttm -69.76 -59.45 2.93 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.112 . . . . 0.0 109.299 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.433 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.06 144.2 14.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 109.335 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.459 HG22 HG12 ' A' ' 80' ' ' VAL . 14.7 t -92.09 148.61 4.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.534 1.146 . . . . 0.0 109.353 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -105.47 -27.63 11.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.996 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 72.4 m-85 -119.91 148.48 43.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.6 mmt180 -131.19 179.25 6.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 1.1 . . . . 0.0 110.311 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -53.35 135.99 38.05 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.478 1.111 . . . . 0.0 110.311 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.65 44.8 80.46 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.512 1.132 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -119.89 150.09 41.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 0.743 . . . . 0.0 109.328 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.7 tt0 -100.35 112.24 24.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 110.325 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -102.66 164.04 11.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.365 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.679 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -112.11 167.98 9.97 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.457 1.098 . . . . 0.0 109.265 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -66.35 111.73 3.66 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.289 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.72 67.46 0.08 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.618 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.679 HG21 ' HB2' ' A' ' 74' ' ' ASN . 2.2 p -127.31 155.59 76.18 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.468 1.105 . . . . 0.0 110.405 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 113.72 3.86 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.79 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.708 HD21 ' HB2' ' A' ' 19' ' ' ALA . 21.0 mt -91.66 -53.24 4.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.409 1.068 . . . . 0.0 109.302 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.459 HG12 HG22 ' A' ' 65' ' ' VAL . 4.9 m -129.31 150.73 34.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 13.8 tt0 -117.11 123.6 47.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.29 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -76.2 153.27 36.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 110.986 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -71.01 157.52 38.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.351 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 38.49 81.36 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 110.284 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.65 154.46 41.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.281 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 71.22 147.14 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 66.6 m -54.37 155.66 3.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.461 1.101 . . . . 0.0 109.947 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -68.41 91.83 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 109.319 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 66.41 150.3 0.05 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.316 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 8.5 mtp180 -79.77 151.1 30.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -74.73 103.18 4.9 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.472 1.107 . . . . 0.0 110.285 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 20.1 m -73.74 91.88 1.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 0.0 109.972 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -73.31 147.83 44.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.325 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 67.2 m -59.3 159.56 7.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.521 1.138 . . . . 0.0 110.01 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.1 -151.49 12.26 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.457 1.098 . . . . 0.0 111.047 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 171.48 18.24 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.437 1.756 . . . . 0.0 110.987 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 25.1 t -111.17 172.63 6.77 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 109.955 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 59.81 -91.54 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.142 . . . . 0.0 109.993 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.538 1.148 . . . . 0.0 110.98 -179.994 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -157.9 132.57 8.43 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 0.744 . . . . 0.0 110.029 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.5 t -90.46 136.35 33.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.506 1.129 . . . . 0.0 109.982 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.54 -170.57 35.82 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.465 1.103 . . . . 0.0 110.995 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -126.67 124.23 39.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.52 0.776 . . . . 0.0 110.007 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -152.73 124.25 7.74 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.994 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.75 116.77 1.95 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -137.16 53.37 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.507 0.769 . . . . 0.0 109.253 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 53.6 p -139.08 146.25 40.5 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.506 1.129 . . . . 0.0 110.047 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 94.1 p -156.93 108.55 2.41 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.989 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -164.87 152.71 11.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.282 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -89.25 84.72 6.5 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.323 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 3.5 m -106.36 142.35 36.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.547 1.154 . . . . 0.0 110.412 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -161.03 60.72 0.29 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 110.329 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -119.35 -68.57 0.31 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.034 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -105.56 -167.75 23.62 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.486 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.4 Cg_endo -74.95 152.29 40.84 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.524 1.802 . . . . 0.0 111.052 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.409 ' HA ' ' O ' ' A' ' 77' ' ' THR . 96.8 mt -110.36 137.73 47.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -54.75 152.02 13.94 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.286 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -49.62 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.456 1.766 . . . . 0.0 110.989 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 14.5 ttt -159.34 168.41 26.45 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.103 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 74.5 m -57.81 110.26 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.42 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.16 -163.01 11.39 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.491 1.119 . . . . 0.0 111.031 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 33.4 m -125.37 147.52 49.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 0.748 . . . . 0.0 110.391 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.751 HD13 ' HG2' ' A' ' 45' ' ' MET . 9.4 mm -77.16 122.29 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.8 tp10 -95.65 -50.43 4.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 110.321 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 mmpt? -135.48 152.87 51.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.559 HG22 ' HG2' ' A' ' 43' ' ' MET . 54.2 t -136.37 103.25 3.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.278 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 32.0 m-85 -101.67 50.77 0.84 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.155 . . . . 0.0 110.971 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.494 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 35.3 m -151.25 -174.96 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 177.57 174.35 0.5 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.468 1.105 . . . . 0.0 109.346 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -75.72 143.24 42.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.292 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.79 24.29 68.08 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 43.6 t0 -94.83 173.48 7.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 0.769 . . . . 0.0 109.351 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.6 mmtt -125.7 130.96 52.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.272 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 19.0 m -129.1 163.9 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 109.327 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.405 ' O ' ' C ' ' A' ' 38' ' ' ALA . 7.5 mttt -123.92 133.69 53.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.486 1.116 . . . . 0.0 109.265 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.18 113.3 0.34 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.08 39.47 4.29 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.525 1.141 . . . . 0.0 111.057 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.85 145.07 40.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.463 0.743 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -74.85 83.81 2.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.022 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.603 HD11 ' HA ' ' A' ' 56' ' ' SER . 22.0 mt -56.96 -67.46 0.31 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.559 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.78 176.17 8.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 70.0 t -128.24 129.34 69.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.751 ' HG2' HD13 ' A' ' 25' ' ' ILE . 62.9 mtp -112.92 168.98 9.25 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 111.003 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.4 mm -130.34 100.73 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -132.82 168.87 17.6 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.285 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 45.8 24.23 0.21 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 111.033 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.39 34.03 18.49 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.549 1.156 . . . . 0.0 109.281 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 30.4 mmm -142.13 169.76 16.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 110.997 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -94.67 138.54 32.39 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.524 1.14 . . . . 0.0 110.294 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.471 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 2.9 m-70 -134.15 148.08 50.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.557 1.16 . . . . 0.0 109.614 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.4 m -117.93 104.45 10.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.395 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 54' ' ' ILE . 2.1 mp -74.2 96.17 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 2.8 mmtt -79.38 149.68 31.59 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.542 1.151 . . . . 0.0 109.296 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.603 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -68.2 137.52 91.71 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.997 179.959 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -26.23 11.19 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.505 1.792 . . . . 0.0 111.046 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.5 pttt -165.61 166.07 18.37 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 109.258 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -79.44 143.65 34.79 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.518 1.136 . . . . 0.0 109.309 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -180.0 -169.19 39.85 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.474 1.109 . . . . 0.0 110.972 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.424 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 99.8 m -115.22 100.57 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 0.744 . . . . 0.0 110.399 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 74.9 t -44.25 100.42 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.32 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 58.9 tttm -58.7 -61.4 2.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.521 1.138 . . . . 0.0 109.258 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.422 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -158.26 146.32 18.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.512 1.133 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.484 HG13 HG12 ' A' ' 80' ' ' VAL . 19.4 t -95.58 144.22 10.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.125 . . . . 0.0 109.334 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -100.61 -31.26 11.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.135 . . . . 0.0 111.027 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -117.3 140.9 48.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.4 mmt85 -121.31 -174.32 2.82 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.326 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -56.52 137.83 52.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.14 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 61.9 47.03 92.78 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.82 146.03 43.15 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.492 0.76 . . . . 0.0 109.296 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -92.21 113.19 25.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.327 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.426 ' HB3' ' CE ' ' A' ' 45' ' ' MET . . . -103.84 164.41 11.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.286 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.747 ' HB2' HG21 ' A' ' 77' ' ' THR . 1.2 m120 -117.94 168.6 10.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.491 1.119 . . . . 0.0 109.337 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.13 116.94 7.03 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.454 1.096 . . . . 0.0 110.329 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 13.4 m170 66.93 70.69 0.38 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.554 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.747 HG21 ' HB2' ' A' ' 74' ' ' ASN . 1.9 p -128.73 153.39 79.75 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 108.57 2.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.539 1.81 . . . . 0.0 111.013 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.472 HD21 ' HB2' ' A' ' 19' ' ' ALA . 81.0 mt -83.15 -59.68 2.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.486 HG23 ' HD2' ' A' ' 17' ' ' PRO . 15.5 m -124.29 160.59 28.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.292 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -123.63 121.42 35.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -77.72 153.55 32.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -69.05 165.03 21.08 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.274 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -67.02 131.22 45.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.306 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -45.42 153.74 0.22 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.513 1.133 . . . . 0.0 110.278 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 5.6 tt0 -139.36 -52.2 0.54 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.491 1.119 . . . . 0.0 110.282 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.74 95.47 4.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 109.986 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -115.86 94.77 4.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.496 1.123 . . . . 0.0 109.281 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -106.03 76.12 1.15 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.45 ' CZ ' ' HB2' ' A' ' 90' ' ' ARG . 3.3 mtm105 -42.92 132.46 3.92 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.248 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -89.68 149.89 22.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.112 . . . . 0.0 110.287 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.2 m -115.87 132.57 56.6 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.504 1.128 . . . . 0.0 109.979 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -140.37 126.12 19.3 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 110.283 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -124.74 161.48 26.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 109.979 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 146.05 86.4 0.07 OUTLIER Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.499 1.124 . . . . 0.0 111.005 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 175.4 11.28 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.494 1.786 . . . . 0.0 111.029 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 44.6 p -175.0 132.3 0.32 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.458 1.099 . . . . 0.0 110.021 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.6 m -133.02 162.98 30.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.467 1.105 . . . . 0.0 110.007 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.531 1.144 . . . . 0.0 110.993 179.964 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -133.38 169.33 17.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 0.754 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.1 p -133.41 153.91 51.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.101 . . . . 0.0 109.989 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.79 -96.51 0.28 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.459 1.1 . . . . 0.0 110.975 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 71.15 -74.34 0.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.501 0.765 . . . . 0.0 110.015 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.6 m -67.94 155.6 39.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.965 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.02 -92.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.469 1.106 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 64.1 t -137.9 100.67 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.509 0.77 . . . . 0.0 109.338 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.3 t -123.58 125.17 44.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.018 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 85.4 p 48.37 83.51 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 110.016 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -120.2 88.46 2.94 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.466 1.104 . . . . 0.0 110.307 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -171.89 -58.65 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 110.235 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.2 t -150.41 158.97 44.75 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 0.0 110.41 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -171.68 159.14 5.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.549 1.156 . . . . 0.0 110.294 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 163.41 -66.02 0.24 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.489 1.118 . . . . 0.0 111.018 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -79.42 -173.47 44.62 Favored Glycine 0 CA--C 1.53 0.984 0 N-CA-C 111.024 -0.831 . . . . 0.0 111.024 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 161.38 38.9 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.784 . . . . 0.0 111.006 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 79.9 mt -120.88 136.7 54.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.598 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -55.42 144.03 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 -45.15 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.512 1.796 . . . . 0.0 110.966 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -154.6 160.24 41.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.453 1.096 . . . . 0.0 110.997 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.455 HG23 ' O ' ' A' ' 73' ' ' ALA . 90.8 m -61.62 106.71 0.7 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 110.429 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -141.27 -162.1 8.99 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.462 1.101 . . . . 0.0 111.02 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.43 ' O ' ' N ' ' A' ' 46' ' ' ILE . 56.5 m -124.38 138.03 54.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 0.775 . . . . 0.0 110.419 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.716 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.2 mm -69.1 126.07 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.302 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -103.2 -50.23 3.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.299 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.451 ' HD2' ' CE1' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -136.52 145.48 45.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 109.292 180.0 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.575 HG22 ' HG2' ' A' ' 43' ' ' MET . 29.0 t -126.69 96.2 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.451 ' CE1' ' HD2' ' A' ' 27' ' ' LYS . 29.4 m-85 -95.7 49.0 1.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 111.009 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.424 HG13 ' O ' ' A' ' 42' ' ' LEU . 28.0 m -147.21 -171.42 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.498 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 178.06 -169.48 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 0.0 109.259 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.5 139.45 33.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.466 1.104 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 68.05 27.58 73.64 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.755 ' O ' HG23 ' A' ' 61' ' ' THR . 2.6 t0 -100.27 173.27 6.68 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 0.785 . . . . 0.0 109.293 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -125.16 134.58 52.36 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.273 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.2 m -132.08 168.12 24.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.336 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 4.1 mmtp -125.26 134.23 52.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.25 115.12 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.292 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.03 43.67 4.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.471 1.107 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -114.74 148.4 38.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 0.771 . . . . 0.0 109.286 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.476 ' OG ' ' CG2' ' A' ' 53' ' ' THR . 0.6 OUTLIER -73.91 88.93 1.85 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 0.0 109.968 -179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 56' ' ' SER . 87.4 mt -63.47 -69.93 0.24 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.095 . . . . 0.0 109.279 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.575 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.08 176.31 8.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.454 HG13 ' HG3' ' A' ' 51' ' ' GLU . 94.2 t -125.15 136.48 60.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.333 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.716 ' HG2' HD13 ' A' ' 25' ' ' ILE . 79.9 mtp -121.4 167.21 13.04 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.749 HD13 ' HA ' ' A' ' 51' ' ' GLU . 11.1 mm -139.35 111.87 5.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.305 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -97.89 -87.51 0.33 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.328 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.431 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.0 OUTLIER -106.27 88.21 2.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.026 179.95 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.0 tmtp? 41.88 28.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.259 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.431 ' N ' ' C ' ' A' ' 48' ' ' MET . 13.5 tpp -130.68 146.23 52.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 110.981 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.749 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.1 tt0 -101.19 139.1 37.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.527 1.142 . . . . 0.0 110.344 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 -125.91 151.42 46.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.134 . . . . 0.0 109.631 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . 0.476 ' CG2' ' OG ' ' A' ' 41' ' ' SER . 22.8 m -119.1 103.68 9.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.407 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.428 ' N ' HD12 ' A' ' 54' ' ' ILE . 2.9 mp -70.88 95.09 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.467 1.105 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 7.6 mttt -81.34 127.69 33.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.544 1.152 . . . . 0.0 109.31 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -47.59 139.98 8.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 -179.977 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -29.38 8.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.505 1.792 . . . . 0.0 110.974 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 12.7 pttt -163.96 175.41 10.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.302 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -74.65 152.81 39.15 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 163.7 167.14 23.71 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.755 HG23 ' O ' ' A' ' 34' ' ' ASP . 6.2 m -106.34 105.91 16.17 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.753 . . . . 0.0 110.371 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.498 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 67.3 t -43.79 124.64 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.493 1.12 . . . . 0.0 109.337 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 37.9 tttm -84.76 -51.81 6.52 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 109.336 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -162.27 141.4 9.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 0.0 109.355 179.999 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.468 HG13 HG12 ' A' ' 80' ' ' VAL . 21.7 t -91.19 157.32 2.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 51.4 m-85 -115.18 -28.93 6.78 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 110.983 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 75.8 m-85 -120.43 143.57 48.41 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.464 1.102 . . . . 0.0 110.968 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 2.3 mtm180 -122.14 -169.06 1.82 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.271 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -62.65 141.41 58.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 0.0 110.338 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 58.46 47.73 88.19 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.576 1.172 . . . . 0.0 111.054 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -116.57 151.63 35.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.47 0.747 . . . . 0.0 109.335 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 tt0 -98.62 110.75 23.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.266 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.455 ' O ' HG23 ' A' ' 22' ' ' THR . . . -103.37 164.18 11.8 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.582 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -116.49 168.14 10.42 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.81 119.9 12.63 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 1.6 m170 68.38 63.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.142 . . . . 0.0 109.608 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.582 HG21 ' CB ' ' A' ' 74' ' ' ASN . 12.4 p -124.81 154.57 70.65 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 110.22 3.07 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.449 1.762 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.598 HD21 ' HB2' ' A' ' 19' ' ' ALA . 57.4 mt -85.99 -61.71 1.69 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 0.0 109.298 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.468 HG12 HG13 ' A' ' 65' ' ' VAL . 7.6 m -124.34 157.26 31.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.105 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -116.54 134.86 54.35 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -88.78 155.07 19.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.555 1.159 . . . . 0.0 110.974 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -72.65 168.38 18.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -102.86 81.34 1.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.327 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -115.07 160.26 19.84 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 0.0 110.338 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -150.27 150.24 31.24 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 110.297 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.35 121.32 0.99 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.975 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 53.96 94.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.511 1.132 . . . . 0.0 109.295 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -86.7 106.14 17.42 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.108 . . . . 0.0 109.288 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.8 ptt180 -159.61 143.95 14.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.445 1.09 . . . . 0.0 110.298 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 10.8 tt0 -171.65 87.99 0.1 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.438 1.086 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -148.0 151.02 35.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.986 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -153.21 148.9 27.41 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 110.302 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.4 p -157.87 160.13 37.35 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.43 1.081 . . . . 0.0 110.038 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.68 151.01 19.32 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.565 1.165 . . . . 0.0 110.974 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 142.02 27.35 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.5 1.789 . . . . 0.0 111.039 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.7 t -110.25 -60.79 1.75 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 110.047 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.5 p 54.54 169.49 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.145 . . . . 0.0 110.016 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.942 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.7 p 55.56 167.43 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.505 0.767 . . . . 0.0 109.987 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -155.3 -59.77 0.11 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.966 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.83 171.75 15.56 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 179.37 170.12 1.01 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.555 0.797 . . . . 0.0 109.955 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -165.15 134.4 3.48 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 110.018 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -133.42 -170.34 12.37 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 34.3 m -90.65 171.03 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 0.77 . . . . 0.0 109.285 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 t -177.39 162.55 1.9 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 109.99 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 17.3 m -123.16 166.31 15.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.456 1.097 . . . . 0.0 110.023 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -79.57 108.78 13.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 0.0 110.295 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -168.74 143.03 3.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.44 1.087 . . . . 0.0 110.304 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.419 ' HA ' HD11 ' A' ' 18' ' ' LEU . 7.4 m -132.0 -70.27 0.58 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.55 1.156 . . . . 0.0 110.42 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -73.76 146.89 43.98 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 110.332 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 92.53 70.11 1.15 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.504 1.128 . . . . 0.0 110.995 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 115.34 155.86 10.95 Favored Glycine 0 CA--C 1.529 0.966 0 N-CA-C 111.026 -0.829 . . . . 0.0 111.026 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.447 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 161.46 38.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.465 1.771 . . . . 0.0 111.007 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.419 HD11 ' HA ' ' A' ' 13' ' ' THR . 34.8 mt -120.23 125.09 47.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.327 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -43.82 141.84 2.15 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -54.22 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.509 1.794 . . . . 0.0 110.949 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.7 ttt -145.27 170.61 15.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 110.989 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 54.6 m -58.89 127.66 33.34 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.399 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.37 176.82 43.87 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.472 1.108 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' HA ' ' A' ' 45' ' ' MET . 31.2 m -113.72 145.75 40.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.542 0.789 . . . . 0.0 110.362 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.859 HD13 ' HG2' ' A' ' 45' ' ' MET . 16.7 mm -77.39 116.54 20.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.103 . . . . 0.0 109.264 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 17.5 tp10 -93.39 -48.71 6.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -134.45 150.81 50.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.815 HG22 ' HG2' ' A' ' 43' ' ' MET . 52.6 t -132.23 102.77 5.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 109.286 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.416 ' N ' ' O ' ' A' ' 42' ' ' LEU . 25.1 m-85 -97.95 50.16 1.02 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.518 1.136 . . . . 0.0 111.028 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.539 HG22 HG13 ' A' ' 28' ' ' VAL . 27.0 m -145.52 -175.66 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.477 1.11 . . . . 0.0 109.306 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.57 166.65 0.48 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.317 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -72.15 143.7 48.85 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.42 24.81 66.17 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.469 1.105 . . . . 0.0 111.007 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.469 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 15.1 t0 -93.55 169.95 9.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 0.755 . . . . 0.0 109.321 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.6 mmtt -126.14 131.73 51.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.542 1.151 . . . . 0.0 109.311 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 28.0 m -135.62 156.48 38.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.332 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.475 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.94 135.81 50.21 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 109.279 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.68 112.44 0.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 1.105 . . . . 0.0 109.25 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.8 31.68 6.23 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.493 1.121 . . . . 0.0 111.019 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -100.96 150.27 23.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 0.796 . . . . 0.0 109.317 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 p -75.49 99.43 4.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.497 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 54.2 mt -71.67 -68.6 0.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.815 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.3 OUTLIER -141.22 176.28 8.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 1.121 . . . . 0.0 110.987 -179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.1 t -126.16 123.41 63.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.859 ' HG2' HD13 ' A' ' 25' ' ' ILE . 76.3 mtp -106.48 168.61 9.04 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.97 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.522 HD13 ' HA ' ' A' ' 51' ' ' GLU . 25.1 mm -129.84 99.88 4.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.327 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -129.25 166.22 19.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 8.2 mmt 51.73 20.23 1.08 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.133 . . . . 0.0 110.98 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 71.71 17.65 5.43 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.299 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -127.63 -179.36 4.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 1.159 . . . . 0.0 110.989 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.522 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.6 tt0 -112.59 138.95 48.62 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -134.09 159.75 39.88 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 109.603 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 30.8 m -121.15 106.98 12.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 110.357 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.2 mp -72.28 117.44 15.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.258 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -91.86 155.61 18.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.482 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.3 t -73.56 141.31 79.54 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.3 Cg_endo -75.04 -28.61 8.95 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.472 1.775 . . . . 0.0 110.979 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.3 pttt -166.78 169.91 12.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -77.53 145.48 36.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 0.0 109.292 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.43 174.09 40.19 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.478 1.111 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 34' ' ' ASP . 82.0 m -99.73 108.4 20.72 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 110.416 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.1 t -48.49 101.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 109.307 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -58.66 -62.59 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 0.0 109.28 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -158.76 145.5 17.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.427 HG12 ' O ' ' A' ' 67' ' ' TYR . 42.3 t -91.42 140.51 15.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.544 1.152 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -100.46 -38.08 8.55 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.989 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.478 ' CE2' ' HB2' ' A' ' 73' ' ' ALA . 29.2 m-85 -105.62 148.15 27.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.996 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.1 mtt-85 -132.29 178.13 7.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.119 . . . . 0.0 110.292 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -56.14 129.2 39.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.146 . . . . 0.0 110.289 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 81.47 27.71 46.68 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.548 1.155 . . . . 0.0 111.047 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -103.56 145.83 29.44 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.518 0.775 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -104.59 110.69 23.09 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.475 1.109 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.478 ' HB2' ' CE2' ' A' ' 67' ' ' TYR . . . -103.08 164.33 11.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.486 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -114.37 168.7 9.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.327 179.999 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -64.87 112.44 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.317 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 79.24 65.11 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.549 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.486 HG21 ' HB2' ' A' ' 74' ' ' ASN . 16.6 p -132.43 154.85 81.71 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 110.394 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.14 5.94 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.488 1.783 . . . . 0.0 110.995 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.1 mt -98.31 -57.54 2.18 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG11 HG21 ' A' ' 30' ' ' VAL . 4.0 m -126.04 152.86 33.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 109.298 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 8.6 tt0 -110.47 157.07 19.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 0.0 110.307 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -113.8 152.3 30.83 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -69.38 163.9 24.16 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.13 . . . . 0.0 110.252 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -63.96 147.79 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.313 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -134.17 172.94 12.15 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 0.0 110.286 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -129.73 133.19 46.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.135 . . . . 0.0 110.275 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -99.82 108.48 20.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.018 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -161.11 84.21 0.66 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.342 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 mttp -104.96 -9.1 18.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.503 1.127 . . . . 0.0 109.305 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.89 91.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.53 1.144 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -67.44 143.45 56.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.424 1.077 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.79 93.14 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.001 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -128.89 161.46 29.8 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.549 1.156 . . . . 0.0 110.293 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 29.3 t -92.17 -64.21 1.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 126.67 96.12 0.96 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.561 1.163 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 106.61 2.31 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.441 1.759 . . . . 0.0 111.02 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 69.5 153.89 0.11 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.508 1.13 . . . . 0.0 109.988 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.5 114.87 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 109.992 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.505 1.128 . . . . 0.0 110.964 179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.86 101.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 0.746 . . . . 0.0 109.993 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 78.5 p -168.51 139.03 2.52 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.99 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.27 -98.42 2.34 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.468 1.105 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.9 p -110.79 101.9 10.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 0.778 . . . . 0.0 110.021 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -128.83 81.35 2.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.99 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.99 163.73 12.33 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.488 1.117 . . . . 0.0 110.979 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 24.2 m -67.17 -33.89 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.531 0.783 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.3 t -177.68 111.11 0.07 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.107 . . . . 0.0 109.957 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.24 134.75 5.75 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 110.028 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -127.21 134.62 50.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 0.0 110.315 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.436 ' O ' ' N ' ' A' ' 14' ' ' GLN . 4.2 tt0 -62.92 135.77 57.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 110.29 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m 65.94 -73.44 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.384 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER -38.74 121.13 1.02 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 110.291 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 149.47 86.77 0.06 OUTLIER Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.542 1.151 . . . . 0.0 110.99 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -66.64 -150.42 0.13 Allowed Glycine 0 CA--C 1.53 1.004 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.11 42.88 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.53 1.805 . . . . 0.0 111.043 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 38.7 mt -116.07 130.36 56.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.449 1.093 . . . . 0.0 109.32 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.808 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -52.84 148.15 14.18 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.429 1.081 . . . . 0.0 109.319 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -44.53 0.33 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.489 1.784 . . . . 0.0 110.974 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 3.5 ttt -151.41 163.56 38.7 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.964 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.444 ' OG1' ' N ' ' A' ' 75' ' ' ARG . 53.5 m -63.67 111.3 2.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.536 1.147 . . . . 0.0 110.42 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -144.92 -156.89 7.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.523 1.14 . . . . 0.0 110.968 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.557 HG23 ' O ' ' A' ' 71' ' ' ALA . 16.2 m -132.25 140.06 48.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.558 0.799 . . . . 0.0 110.415 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.66 HD13 ' HG2' ' A' ' 45' ' ' MET . 10.3 mm -72.02 128.29 34.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.12 . . . . 0.0 109.315 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.15 -47.15 3.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.553 1.158 . . . . 0.0 110.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt -134.8 143.38 47.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.349 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.735 HG22 ' HG2' ' A' ' 43' ' ' MET . 65.5 t -130.51 102.34 6.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.294 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' N ' ' O ' ' A' ' 42' ' ' LEU . 32.6 m-85 -98.55 47.72 0.98 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 0.0 111.002 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.934 HG21 HG11 ' A' ' 80' ' ' VAL . 18.0 m -147.91 -171.16 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.298 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 175.13 -175.71 0.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.428 1.08 . . . . 0.0 109.311 -179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -86.21 143.71 27.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.103 . . . . 0.0 109.27 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.21 30.83 77.01 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.438 1.086 . . . . 0.0 110.996 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.655 ' O ' HG23 ' A' ' 61' ' ' THR . 38.7 t0 -103.16 171.74 7.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 0.0 109.308 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.11 139.06 54.11 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.135 . . . . 0.0 109.29 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.8 m -136.27 171.95 16.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.346 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -130.33 134.97 47.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 0.0 109.337 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.406 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -40.24 118.78 0.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.45 1.094 . . . . 0.0 109.326 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.56 36.09 6.65 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.556 1.16 . . . . 0.0 110.978 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -107.76 150.58 26.8 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 0.772 . . . . 0.0 109.264 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.1 p -79.76 96.95 6.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 0.0 109.959 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.682 HD11 ' HA ' ' A' ' 56' ' ' SER . 41.0 mt -70.37 -69.42 0.36 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.139 . . . . 0.0 109.314 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.735 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -139.88 176.07 9.06 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.563 1.164 . . . . 0.0 110.961 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.592 HG13 ' O ' ' A' ' 52' ' ' HIS . 77.8 t -127.96 122.16 57.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.473 1.108 . . . . 0.0 109.337 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.696 ' O ' HD13 ' A' ' 46' ' ' ILE . 76.2 mtp -101.73 167.81 9.86 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 1.137 . . . . 0.0 111.046 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.696 HD13 ' O ' ' A' ' 45' ' ' MET . 34.2 mm -127.5 99.71 5.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.119 . . . . 0.0 109.285 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.88 162.5 29.5 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.103 . . . . 0.0 109.295 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 3.5 mtt 50.26 26.88 2.39 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.988 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 3.4 mttt 67.57 24.63 8.55 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.577 1.173 . . . . 0.0 109.282 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.483 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 2.9 ttt -143.17 150.57 39.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.519 1.137 . . . . 0.0 111.017 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.483 ' HA ' HD13 ' A' ' 46' ' ' ILE . 1.0 OUTLIER -91.78 147.54 22.91 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.469 1.106 . . . . 0.0 110.34 179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.592 ' O ' HG13 ' A' ' 44' ' ' VAL . 9.5 m-70 -134.05 160.09 38.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.603 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 93.2 m -112.11 103.28 11.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.118 . . . . 0.0 110.422 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 1.7 mp -71.9 105.42 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 109.305 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.4 mmtp -78.98 148.65 32.49 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.682 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.3 OUTLIER -62.98 141.99 97.63 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.526 1.141 . . . . 0.0 110.011 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -31.98 5.8 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.526 1.803 . . . . 0.0 111.011 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.26 -176.36 3.65 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.287 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.37 156.76 18.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.534 1.146 . . . . 0.0 109.318 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 152.91 -162.08 29.88 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.526 1.141 . . . . 0.0 110.959 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.655 HG23 ' O ' ' A' ' 34' ' ' ASP . 8.8 m -120.91 133.57 55.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 0.775 . . . . 0.0 110.383 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.4 t -77.06 103.09 4.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.493 1.12 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.6 tttm -61.09 -54.11 48.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.74 178.29 9.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.465 1.103 . . . . 0.0 109.295 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.532 HG12 ' H ' ' A' ' 66' ' ' PHE . 13.4 t -123.05 171.48 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.575 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 81.2 m-85 -122.95 -38.68 2.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 110.978 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -126.69 138.47 53.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 0.0 111.012 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' O ' ' CB ' ' A' ' 71' ' ' ALA . 8.2 mtt-85 -113.46 -173.43 2.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.556 1.16 . . . . 0.0 110.309 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -49.62 149.05 2.57 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.501 1.125 . . . . 0.0 110.284 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 44.91 49.61 9.06 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.439 1.087 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.557 ' O ' HG23 ' A' ' 24' ' ' THR . . . -111.13 162.64 14.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 0.775 . . . . 0.0 109.315 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.4 tt0 -109.86 115.8 30.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.271 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.75 164.0 13.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 109.308 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.511 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.9 OUTLIER -118.18 168.45 10.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 0.0 109.33 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.444 ' N ' ' OG1' ' A' ' 22' ' ' THR . 3.2 ttp180 -63.61 114.69 4.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 110.295 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 74.45 68.09 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.511 HG21 ' HB2' ' A' ' 74' ' ' ASN . 10.9 p -132.5 154.2 81.45 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.484 1.115 . . . . 0.0 110.379 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.573 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -74.96 118.08 5.14 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.799 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.808 HD21 ' HB2' ' A' ' 19' ' ' ALA . 8.4 mt -90.22 -57.63 2.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.934 HG11 HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -125.26 142.31 42.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.575 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.2 tt0 -101.18 117.71 35.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.528 1.143 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -83.73 155.27 23.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 111.027 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -73.43 169.26 17.55 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -71.42 109.2 5.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 0.0 110.282 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -120.88 171.93 8.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 110.295 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -143.76 -177.68 5.54 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 110.288 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 18.3 t -162.51 126.31 3.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 110.002 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -128.25 85.37 2.33 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.323 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -105.57 113.58 27.24 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.499 1.124 . . . . 0.0 109.295 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -78.64 134.93 37.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 110.309 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -171.75 128.11 0.63 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 0.0 110.357 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 2.2 t -177.9 115.78 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.963 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -143.76 115.58 8.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.272 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 5.3 t -165.51 151.59 9.62 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.26 66.89 0.25 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.479 1.112 . . . . 0.0 111.045 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 166.79 28.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 110.993 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 67.7 m -156.52 123.74 5.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 110.058 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.1 t -177.06 163.98 2.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.52 1.137 . . . . 0.0 110.016 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.543 1.152 . . . . 0.0 110.992 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -124.87 163.87 21.27 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.492 0.76 . . . . 0.0 110.036 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -146.16 -58.71 0.31 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.454 1.096 . . . . 0.0 110.012 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -140.68 -147.99 5.05 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.487 1.117 . . . . 0.0 111.0 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 p -125.96 -59.02 1.36 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 110.021 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 m -59.51 163.24 4.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.0 -155.47 21.0 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.471 1.107 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 6.4 m -86.92 169.9 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 0.755 . . . . 0.0 109.278 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.61 -60.08 1.02 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.032 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 1.7 t -172.17 108.91 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 110.047 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -68.99 93.24 0.56 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.314 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -81.02 74.83 8.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.51 1.131 . . . . 0.0 110.285 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.3 t -169.01 151.45 4.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -166.96 136.15 2.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.319 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.54 -82.05 0.18 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -158.4 -147.1 4.73 Favored Glycine 0 CA--C 1.53 1.019 0 N-CA-C 111.019 -0.833 . . . . 0.0 111.019 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 135.14 18.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.559 1.82 . . . . 0.0 110.974 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.89 HD22 ' O ' ' A' ' 76' ' ' HIS . 29.1 mt -86.1 153.67 21.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.265 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.565 ' HA ' HD11 ' A' ' 79' ' ' LEU . . . -64.99 142.23 98.61 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.149 . . . . 0.0 109.331 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.96 -33.07 4.91 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.547 1.814 . . . . 0.0 111.008 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.5 ttt -174.46 157.27 2.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.498 1.123 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 21.4 m -57.87 105.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.361 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -146.0 -164.73 11.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.547 1.154 . . . . 0.0 111.034 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 45' ' ' MET . 55.2 m -124.01 142.33 51.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 0.755 . . . . 0.0 110.449 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.74 HD13 ' HG2' ' A' ' 45' ' ' MET . 13.2 mm -75.62 121.93 28.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.416 ' OE1' ' HA ' ' A' ' 26' ' ' GLU . 6.0 tp10 -100.46 -51.92 3.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.308 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -130.34 147.11 52.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.629 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.8 t -131.3 100.24 4.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.462 1.102 . . . . 0.0 109.326 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -97.64 49.43 1.03 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 110.989 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.51 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 28.2 m -147.64 -172.65 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 176.52 166.87 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.284 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -71.33 142.31 50.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.7 33.53 85.44 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 110.992 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.934 ' O ' HG23 ' A' ' 61' ' ' THR . 19.8 t0 -101.99 173.28 6.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 0.764 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.41 136.0 52.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 30.1 m -139.72 158.18 27.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 1.134 . . . . 0.0 109.279 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.472 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.96 137.41 47.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.286 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.24 113.12 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.301 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.68 45.8 3.09 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.499 1.125 . . . . 0.0 110.945 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -113.49 147.57 37.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 0.79 . . . . 0.0 109.283 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 11.0 m -74.18 91.92 2.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.51 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 47.2 mt -64.78 -69.3 0.3 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.629 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.2 OUTLIER -140.03 176.18 8.97 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.007 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.421 HG13 ' O ' ' A' ' 52' ' ' HIS . 73.4 t -126.12 128.06 71.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.346 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.74 ' HG2' HD13 ' A' ' 25' ' ' ILE . 43.7 mtp -109.43 169.29 8.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.0 mt -139.85 126.21 22.66 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.51 1.131 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -128.38 -82.59 0.58 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 4.8 ptp -88.33 68.26 8.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 111.016 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.0 mttm 42.74 33.8 0.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -134.15 150.51 51.12 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -95.89 123.72 39.6 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.27 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.421 ' O ' HG13 ' A' ' 44' ' ' VAL . 7.4 m-70 -103.51 152.62 21.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 109.609 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 24.1 m -120.59 99.53 6.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.577 1.173 . . . . 0.0 110.37 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.404 HG12 ' CD1' ' A' ' 79' ' ' LEU . 2.1 mp -71.25 99.69 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.271 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.0 mmtp -82.01 139.72 34.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.28 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.5 138.08 96.44 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.991 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -26.42 10.93 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.531 1.806 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.42 173.52 13.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 0.0 109.318 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -81.83 123.73 29.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.493 1.12 . . . . 0.0 109.315 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -160.35 177.1 36.93 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.538 1.149 . . . . 0.0 110.984 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.934 HG23 ' O ' ' A' ' 34' ' ' ASP . 16.7 m -113.48 105.99 14.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 0.771 . . . . 0.0 110.403 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 38.9 t -43.69 115.62 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.31 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.9 tttt -75.47 -56.4 4.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.107 . . . . 0.0 109.325 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -155.31 146.42 22.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.257 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.434 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 42.6 t -93.67 146.47 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -104.8 -39.69 6.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.401 ' CZ ' ' CB ' ' A' ' 73' ' ' ALA . 53.8 m-85 -113.6 141.69 46.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 111.002 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.441 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 1.1 mmt85 -112.74 -174.68 2.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -59.0 147.32 34.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 0.0 110.284 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.406 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 52.03 40.48 51.05 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.512 1.132 . . . . 0.0 110.996 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.441 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -114.24 144.18 43.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 0.792 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 5.2 tt0 -100.54 126.21 46.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.401 ' CB ' ' CZ ' ' A' ' 67' ' ' TYR . . . -131.71 160.24 36.05 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 109.281 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.403 ' HB2' HG21 ' A' ' 77' ' ' THR . 75.2 m-20 -100.32 167.71 10.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.555 1.159 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.555 ' O ' ' CG ' ' A' ' 76' ' ' HIS . 49.7 ttt180 -78.06 147.79 34.58 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.545 1.153 . . . . 0.0 110.301 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.89 ' O ' HD22 ' A' ' 18' ' ' LEU . 6.2 m80 90.68 -35.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.55 1.156 . . . . 0.0 109.592 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.425 HG23 ' H ' ' A' ' 77' ' ' THR . 34.3 p -57.49 148.28 55.86 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 0.0 110.397 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -75.03 117.05 4.77 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.508 1.794 . . . . 0.0 111.004 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.565 HD11 ' HA ' ' A' ' 19' ' ' ALA . 43.2 mt -69.12 -55.44 10.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 5.9 m -132.11 159.29 43.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.551 1.157 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -112.61 120.68 42.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -77.92 155.12 31.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 111.013 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -69.77 162.7 27.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -79.32 82.25 5.49 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 0.0 110.284 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -83.77 160.79 21.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 110.301 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -142.79 153.47 43.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 110.261 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 2.9 m 56.39 104.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 110.027 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -175.67 94.54 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.3 95.35 4.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.91 145.39 30.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -114.59 150.1 35.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 1.145 . . . . 0.0 110.306 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -170.02 105.76 0.33 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.539 1.149 . . . . 0.0 110.0 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.46 154.22 17.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 m -151.66 168.61 24.46 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.991 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -109.33 115.8 4.37 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.502 1.126 . . . . 0.0 110.992 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 157.77 42.67 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.46 1.768 . . . . 0.0 110.983 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.97 166.38 10.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.109 . . . . 0.0 109.995 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 79.2 p -49.0 169.89 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 110.017 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.547 1.154 . . . . 0.0 111.011 179.99 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 60.56 82.5 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.49 0.759 . . . . 0.0 110.029 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -142.5 146.9 35.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 109.974 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.58 150.02 0.16 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 110.981 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.5 p -132.55 149.48 52.31 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 0.782 . . . . 0.0 109.99 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 73.4 p -79.47 109.15 13.56 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.095 . . . . 0.0 109.995 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -103.0 117.32 5.74 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 35.3 m -126.42 168.53 19.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 0.733 . . . . 0.0 109.313 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.3 p -122.97 102.22 7.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 110.012 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.5 m -106.4 128.2 53.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 109.988 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -44.96 164.23 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 1.156 . . . . 0.0 110.314 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 55.78 101.79 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.348 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 1.8 m -124.3 -59.73 1.46 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 110.398 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -79.49 58.05 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.521 1.138 . . . . 0.0 110.334 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -97.62 -70.79 1.02 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.504 1.127 . . . . 0.0 110.995 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -96.0 -148.97 25.0 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.482 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.02 161.52 38.56 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.528 1.804 . . . . 0.0 110.998 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 94.8 mt -118.83 135.44 54.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.15 . . . . 0.0 109.272 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.412 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -52.61 144.15 25.76 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.529 1.143 . . . . 0.0 109.323 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -48.5 0.17 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.494 1.786 . . . . 0.0 110.988 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.7 ptp -153.76 170.9 19.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 111.029 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 11.8 m -68.33 113.88 6.3 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.517 1.136 . . . . 0.0 110.404 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.42 -160.57 9.67 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.518 1.136 . . . . 0.0 110.952 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 45' ' ' MET . 56.4 m -124.39 141.21 52.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 0.775 . . . . 0.0 110.443 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.823 HD13 ' HG2' ' A' ' 45' ' ' MET . 20.0 mm -74.74 107.54 5.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.5 ' OE1' ' CG ' ' A' ' 27' ' ' LYS . 0.3 OUTLIER -79.59 -51.91 8.68 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.304 179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.5 ' CG ' ' OE1' ' A' ' 26' ' ' GLU . 0.0 OUTLIER -132.51 170.88 14.52 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.309 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.555 HG22 ' HG2' ' A' ' 43' ' ' MET . 54.4 t -149.61 103.04 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.7 m-85 -101.14 47.38 0.91 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.431 HG22 HG13 ' A' ' 28' ' ' VAL . 34.0 m -144.77 179.45 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' CD ' ' HB2' ' A' ' 34' ' ' ASP . 0.0 OUTLIER 175.9 165.3 0.38 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.56 1.162 . . . . 0.0 109.288 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -66.46 144.13 56.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.71 25.12 63.1 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.498 1.124 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.491 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 20.5 t70 -92.71 173.34 7.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.751 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.0 mmtt -126.35 131.9 51.7 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.428 1.08 . . . . 0.0 109.308 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.66 164.46 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 3.8 mttm -131.77 140.46 49.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 109.284 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.754 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -39.9 119.11 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 108.12 -39.75 2.78 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.444 1.09 . . . . 0.0 111.006 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -41.14 142.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 0.773 . . . . 0.0 109.346 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.1 p -76.42 104.63 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 109.997 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.549 HD11 ' HA ' ' A' ' 56' ' ' SER . 81.2 mt -70.3 -67.87 0.46 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.279 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.555 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -142.3 176.46 8.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.961 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.3 t -124.22 131.09 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.823 ' HG2' HD13 ' A' ' 25' ' ' ILE . 68.5 mtp -115.54 168.94 9.56 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.51 1.131 . . . . 0.0 110.994 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.2 mt -142.01 113.91 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.419 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -109.79 -74.24 0.66 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.5 ptp -96.47 65.47 2.29 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.487 1.117 . . . . 0.0 111.016 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 46.09 28.52 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.561 1.163 . . . . 0.0 109.287 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.68 141.46 51.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 111.029 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -82.07 124.6 29.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 0.0 110.318 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.419 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 15.6 m-70 -106.21 146.85 29.77 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.546 1.154 . . . . 0.0 109.668 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 73.4 m -115.5 96.94 5.88 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 110.403 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.4 mp -72.56 99.57 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.303 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -79.17 126.41 30.71 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.322 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.549 ' HA ' HD11 ' A' ' 42' ' ' LEU . 13.8 t -48.38 145.17 5.74 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.013 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -31.7 6.02 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.432 1.753 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.754 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 0.2 OUTLIER -170.79 161.14 7.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 -179.993 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -62.65 153.16 33.17 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.338 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 167.7 172.83 35.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.506 1.129 . . . . 0.0 110.958 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.42 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 61.3 m -103.75 103.67 13.6 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.477 0.751 . . . . 0.0 110.427 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.419 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 40.4 t -44.72 109.2 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.477 1.111 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 27.7 tttt -68.16 -60.58 2.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.119 . . . . 0.0 109.352 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.417 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 4.4 tttp -157.24 140.02 15.06 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.417 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 25.4 t -89.35 154.86 3.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.553 1.158 . . . . 0.0 109.329 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 -115.88 -32.07 5.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.992 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 64.7 m-85 -114.65 145.61 41.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 5.5 mtm180 -129.3 -179.39 5.12 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.523 1.14 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -56.16 133.87 52.54 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.35 38.01 53.55 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.511 1.132 . . . . 0.0 111.012 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -114.16 152.49 31.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.569 0.805 . . . . 0.0 109.27 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.3 tt0 -108.2 113.93 27.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -104.15 163.99 12.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.318 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.738 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -109.64 167.82 9.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.292 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.553 ' HG2' ' CE1' ' A' ' 76' ' ' HIS . 0.2 OUTLIER -71.54 109.99 5.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.448 1.093 . . . . 0.0 110.263 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 75' ' ' ARG . 6.0 m80 85.35 57.34 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.504 1.128 . . . . 0.0 109.621 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.738 HG21 ' HB2' ' A' ' 74' ' ' ASN . 13.7 p -127.47 152.8 77.04 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 110.367 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 116.38 4.57 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.412 HD21 ' HB2' ' A' ' 19' ' ' ALA . 49.3 mt -89.65 -54.45 4.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.482 HG23 ' HD2' ' A' ' 17' ' ' PRO . 8.0 m -130.25 153.9 39.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 109.325 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -118.69 123.89 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 0.0 110.263 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -79.33 155.29 28.53 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 110.988 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -68.38 168.74 11.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 110.304 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.89 157.04 29.01 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.292 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -73.85 161.45 30.15 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -125.38 -50.84 1.64 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 49.2 m -149.2 -58.45 0.21 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 110.011 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 40.85 71.99 0.17 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.147 . . . . 0.0 109.272 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.43 80.39 1.48 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.554 1.159 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.422 ' HB2' ' NH1' ' A' ' 90' ' ' ARG . 7.6 mtm105 -74.56 108.78 7.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 1.144 . . . . 0.0 110.279 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.26 111.91 23.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -83.91 158.5 21.57 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.023 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -138.12 153.09 49.28 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 0.0 110.23 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 14.2 p -140.89 -173.68 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.025 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -146.46 89.34 0.15 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.526 1.141 . . . . 0.0 111.001 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 110.46 3.12 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.456 1.766 . . . . 0.0 111.022 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -96.75 141.03 30.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.559 1.162 . . . . 0.0 109.977 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 40.6 p -167.89 173.61 8.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.923 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.484 1.115 . . . . 0.0 110.991 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.972 -0.851 . . . . 0.0 110.972 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -108.6 -58.37 2.01 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.499 0.764 . . . . 0.0 109.989 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.8 t 75.67 -59.15 0.53 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.1 -79.97 0.21 Allowed Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.504 1.128 . . . . 0.0 111.026 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.03 132.07 3.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 0.763 . . . . 0.0 110.053 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -72.47 135.97 45.84 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.015 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.19 146.72 5.46 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.513 1.133 . . . . 0.0 110.992 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 61.8 t -110.31 81.53 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.552 0.795 . . . . 0.0 109.273 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.5 t -155.53 82.29 1.04 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.989 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -167.98 -58.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.991 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 52.93 89.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.262 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.64 -59.65 1.77 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.137 . . . . 0.0 110.284 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.0 t -102.44 -20.61 14.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.45 1.094 . . . . 0.0 110.433 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -85.45 133.55 34.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.469 1.106 . . . . 0.0 110.296 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.6 -72.14 0.13 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.484 1.115 . . . . 0.0 111.004 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.16 -161.65 36.73 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 156.31 42.75 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.487 1.783 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 96.6 mt -119.43 129.3 54.7 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.552 1.158 . . . . 0.0 109.335 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.935 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -50.77 147.14 8.89 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.566 1.166 . . . . 0.0 109.277 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.95 -49.96 0.14 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.539 1.81 . . . . 0.0 110.974 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptp -146.68 167.48 23.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 111.024 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 22.4 m -59.62 109.19 0.85 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 110.418 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.37 -179.97 24.75 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.516 1.135 . . . . 0.0 110.941 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.866 HG23 ' O ' ' A' ' 71' ' ' ALA . 55.2 m -116.64 132.97 56.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 0.766 . . . . 0.0 110.377 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.732 HD13 ' CG ' ' A' ' 45' ' ' MET . 19.5 mm -67.89 104.16 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 18.1 tp10 -76.71 -50.89 12.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 110.271 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmpt? -121.91 162.04 21.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 0.0 109.286 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.918 HG22 ' SD ' ' A' ' 43' ' ' MET . 41.7 t -144.21 97.08 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.403 ' O ' HG13 ' A' ' 30' ' ' VAL . 27.9 m-85 -99.64 51.27 0.93 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 111.036 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.41 HG11 ' HB3' ' A' ' 42' ' ' LEU . 26.1 m -152.91 -173.12 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 109.277 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.502 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -178.36 -169.91 0.2 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.438 1.086 . . . . 0.0 109.281 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.86 143.53 26.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 109.333 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 64.15 26.9 70.75 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.991 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.9 ' O ' HG23 ' A' ' 61' ' ' THR . 2.9 t0 -100.44 173.14 6.71 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.486 0.757 . . . . 0.0 109.278 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.4 mptt -125.83 140.12 52.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.6 m -138.15 177.37 5.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.531 1.145 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 3.4 mttm -127.61 133.1 49.71 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.146 . . . . 0.0 109.31 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.64 116.49 0.7 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 0.0 109.224 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 90.88 46.88 3.8 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -119.47 141.93 48.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 0.752 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 27.3 p -68.56 94.93 0.6 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.435 1.084 . . . . 0.0 110.008 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.442 ' C ' ' HG2' ' A' ' 43' ' ' MET . 17.8 mt -69.67 -71.09 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.109 . . . . 0.0 109.32 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.918 ' SD ' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -133.82 178.08 7.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 111.009 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 84.5 t -127.38 135.68 62.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.732 ' CG ' HD13 ' A' ' 25' ' ' ILE . 19.9 mtp -113.99 166.71 11.32 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.993 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.431 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 11.6 mm -136.14 108.63 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.527 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -113.4 -71.7 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.545 1.153 . . . . 0.0 109.287 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.405 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.2 OUTLIER -103.58 66.64 0.87 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.451 1.095 . . . . 0.0 111.029 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER 44.11 27.5 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.405 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mtp -125.91 149.17 48.92 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 0.0 111.019 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -92.0 114.31 26.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.527 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 6.2 m-70 -99.96 119.22 37.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.62 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 35.4 m -87.65 100.16 12.6 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.408 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.482 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 mp -71.34 97.63 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.14 . . . . 0.0 109.244 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -80.98 144.48 31.8 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.422 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.4 t -64.94 139.83 97.91 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.547 1.154 . . . . 0.0 109.994 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -29.83 7.81 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.468 1.773 . . . . 0.0 110.991 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -160.86 175.7 12.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 0.0 109.28 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -80.73 148.27 30.19 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 0.0 109.272 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 165.96 164.31 21.21 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.9 HG23 ' O ' ' A' ' 34' ' ' ASP . 5.9 m -97.05 107.76 20.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 110.39 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.502 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 59.0 t -43.25 118.2 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.268 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 13.1 tttp -78.16 -57.39 3.81 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -154.42 149.93 27.35 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.48 1.112 . . . . 0.0 109.307 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.477 ' CG1' ' HE1' ' A' ' 43' ' ' MET . 29.7 t -96.65 148.83 5.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -104.41 -29.21 10.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 0.0 110.97 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 34.3 m-85 -132.49 138.72 47.65 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.008 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 7.1 mtt180 -114.65 -173.73 2.35 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -55.01 138.28 44.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 62.47 42.03 99.73 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.487 1.117 . . . . 0.0 111.025 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.866 ' O ' HG23 ' A' ' 24' ' ' THR . . . -110.94 161.55 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.0 tt0 -111.87 122.47 47.86 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -117.59 164.14 15.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.482 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.6 OUTLIER -118.46 169.16 10.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 6.4 ttp180 -66.97 124.49 23.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.111 . . . . 0.0 110.291 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 31.0 m170 71.15 57.09 0.2 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 109.647 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.482 HG21 ' CB ' ' A' ' 74' ' ' ASN . 47.2 p -127.94 151.89 76.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 110.36 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 125.02 9.05 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.517 1.799 . . . . 0.0 111.012 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.935 HD21 ' HB2' ' A' ' 19' ' ' ALA . 2.4 mt -99.66 -56.08 2.49 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.561 1.163 . . . . 0.0 109.323 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.439 HG21 HD13 ' A' ' 42' ' ' LEU . 1.2 m -130.21 150.77 34.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.13 . . . . 0.0 109.292 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -111.83 147.74 35.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 0.0 110.303 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 32.3 m-85 -102.01 154.97 18.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 111.034 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -78.07 169.56 18.06 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.471 1.107 . . . . 0.0 110.343 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.43 108.48 1.65 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 110.32 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -60.84 162.7 6.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.285 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -141.09 -45.87 0.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 19.5 m -95.28 123.9 39.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.13 . . . . 0.0 109.987 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -174.02 92.44 0.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 6.6 mtpt -106.3 113.46 27.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.319 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ttt180 -76.29 -58.78 3.08 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.103 . . . . 0.0 110.282 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 60.07 100.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.277 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 3.0 p -141.33 146.08 36.25 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -116.3 141.66 47.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.278 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 80.0 p -133.75 168.65 18.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.021 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.17 157.32 23.81 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.525 1.141 . . . . 0.0 110.981 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 171.45 18.29 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.429 1.752 . . . . 0.0 110.968 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -164.79 162.76 21.25 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.02 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.4 m 65.79 164.85 0.18 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.972 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.948 -179.985 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -159.97 -58.03 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 0.792 . . . . 0.0 109.954 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -177.13 167.43 2.41 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.023 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.8 -160.95 13.22 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.511 1.132 . . . . 0.0 111.008 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.4 t -68.29 132.76 47.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.784 . . . . 0.0 110.006 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 64.8 p -87.74 136.39 32.97 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.011 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.2 -67.47 1.29 Allowed Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.524 1.14 . . . . 0.0 110.97 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 9.9 p -70.38 148.13 11.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.524 0.779 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 11.0 t -128.59 -56.1 1.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.126 . . . . 0.0 110.008 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 77.9 p -128.45 113.68 15.83 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.506 1.129 . . . . 0.0 110.01 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -171.15 123.24 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.109 . . . . 0.0 110.299 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -48.69 -59.83 3.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.313 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.1 t -139.02 161.43 37.4 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 110.45 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.442 ' NE2' ' H ' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -157.92 162.42 38.29 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.563 1.164 . . . . 0.0 110.332 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.442 ' H ' ' NE2' ' A' ' 14' ' ' GLN . . . 77.93 91.49 0.31 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.474 1.108 . . . . 0.0 110.977 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 119.76 150.97 8.72 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 163.27 35.7 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.781 . . . . 0.0 110.963 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 90.8 mt -126.12 140.55 52.48 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.417 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -58.54 141.9 83.38 Favored Pre-proline 0 C--N 1.326 -0.431 0 O-C-N 124.483 1.115 . . . . 0.0 109.303 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.2 Cg_endo -75.03 -29.19 8.43 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.468 1.773 . . . . 0.0 110.957 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 28.8 ttm -173.7 170.04 4.09 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.526 1.141 . . . . 0.0 110.99 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 23.1 m -61.23 130.23 45.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 0.0 110.422 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.83 -162.52 17.32 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.507 1.129 . . . . 0.0 111.018 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 46' ' ' ILE . 51.1 m -127.94 129.66 47.17 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 0.732 . . . . 0.0 110.421 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.85 HD13 ' HG2' ' A' ' 45' ' ' MET . 32.2 mm -64.67 100.92 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.428 ' N ' ' O ' ' A' ' 44' ' ' VAL . 7.6 tp10 -71.76 -58.13 3.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.15 . . . . 0.0 110.317 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -130.13 162.68 28.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.327 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.529 HG22 ' HG2' ' A' ' 43' ' ' MET . 37.4 t -141.59 97.86 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -94.86 49.1 1.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.505 HG22 HG13 ' A' ' 28' ' ' VAL . 27.7 m -145.29 -170.99 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.538 1.149 . . . . 0.0 109.314 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.31 -169.46 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.357 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -97.08 138.93 33.83 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.531 1.145 . . . . 0.0 109.314 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.93 28.86 73.96 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.516 1.135 . . . . 0.0 111.029 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.845 ' O ' HG23 ' A' ' 61' ' ' THR . 4.6 t0 -100.32 171.71 7.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 0.773 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 6.4 mptt -126.19 136.36 52.74 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.471 1.107 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.4 172.62 15.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmtt -126.37 134.59 51.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.305 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.43 123.31 1.76 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.51 1.131 . . . . 0.0 109.329 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 84.88 39.01 8.89 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.446 1.091 . . . . 0.0 111.056 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -114.27 139.73 49.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.57 0.806 . . . . 0.0 109.287 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -62.92 100.68 0.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.144 . . . . 0.0 109.998 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.507 HD11 ' HA ' ' A' ' 56' ' ' SER . 97.1 mt -75.69 -67.1 0.7 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.331 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.529 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.59 176.38 8.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.432 1.083 . . . . 0.0 110.984 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.428 ' O ' ' N ' ' A' ' 26' ' ' GLU . 95.8 t -123.51 130.57 74.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.251 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.85 ' HG2' HD13 ' A' ' 25' ' ' ILE . 4.5 mmm -118.33 162.75 17.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.506 1.129 . . . . 0.0 110.968 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.413 ' O ' ' N ' ' A' ' 24' ' ' THR . 6.2 mt -139.49 121.05 15.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.292 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -112.53 -86.38 0.56 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 1.109 . . . . 0.0 109.33 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 11.2 mtm -94.93 71.47 3.42 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 110.985 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 45.57 45.53 10.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.128 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 63.0 mtm -141.88 146.48 35.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 111.019 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -90.54 122.23 33.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.7 m-70 -108.29 140.49 41.47 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 109.629 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 90.2 m -118.31 96.18 5.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 110.374 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.558 ' N ' HD12 ' A' ' 54' ' ' ILE . 3.9 mp -78.88 97.44 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.133 . . . . 0.0 109.291 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 6.6 mttt -78.7 151.35 32.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' HD11 ' A' ' 42' ' ' LEU . 35.6 t -61.05 138.43 94.22 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.988 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -27.83 9.68 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.541 1.811 . . . . 0.0 110.953 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -165.99 171.16 12.86 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.287 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.48 142.09 48.56 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 0.0 109.319 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 172.63 163.95 27.29 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.511 1.132 . . . . 0.0 111.038 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.845 HG23 ' O ' ' A' ' 34' ' ' ASP . 3.1 m -104.4 108.38 19.76 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 0.788 . . . . 0.0 110.414 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 69.3 t -43.88 127.26 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 22.6 tttt -91.0 -54.5 3.93 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.429 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -151.59 143.62 23.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.295 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.429 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 21.2 t -92.57 156.28 3.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.452 1.095 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.507 ' CD2' ' HB2' ' A' ' 78' ' ' PRO . 37.8 m-85 -112.37 -28.49 7.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 32.6 m-85 -126.91 155.98 42.19 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.979 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -131.35 171.04 13.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 110.255 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -49.55 131.76 21.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 0.0 110.353 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 68.84 51.07 31.47 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.564 1.165 . . . . 0.0 110.995 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -120.77 165.84 14.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 0.757 . . . . 0.0 109.332 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.8 tt0 -112.19 115.26 28.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.292 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -107.1 163.73 12.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.319 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.485 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.8 OUTLIER -118.21 168.57 10.46 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.411 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 63.7 mtm180 -68.64 115.53 8.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.411 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.6 m170 81.52 58.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 109.62 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.485 HG21 ' HB2' ' A' ' 74' ' ' ASN . 20.9 p -128.82 153.22 79.9 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 110.425 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.507 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.4 Cg_endo -74.99 130.78 13.6 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.505 1.792 . . . . 0.0 111.037 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' CD1' HG21 ' A' ' 54' ' ' ILE . 12.7 mt -100.66 -48.37 4.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.489 1.118 . . . . 0.0 109.303 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -142.09 146.66 22.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -109.92 117.3 33.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 110.346 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 38.8 m-85 -74.61 155.07 38.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.943 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -67.43 168.21 11.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 110.329 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.84 147.89 50.73 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.441 1.088 . . . . 0.0 110.308 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.99 147.34 31.59 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -139.53 -48.58 0.48 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.519 1.137 . . . . 0.0 110.32 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 59.5 p -87.45 113.12 22.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.43 1.081 . . . . 0.0 109.976 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -137.11 93.07 2.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.331 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -74.4 169.32 17.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 109.247 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -147.0 172.24 14.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 6.8 tt0 -135.03 161.98 33.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.284 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 1.8 m -145.76 164.55 31.51 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.427 1.08 . . . . 0.0 109.981 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.66 167.53 30.11 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.447 1.092 . . . . 0.0 110.262 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 69.4 m -127.14 159.99 32.58 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.002 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -107.69 152.12 16.93 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -52.87 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.476 1.777 . . . . 0.0 111.056 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.3 m 69.49 150.33 0.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 0.0 109.934 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.3 t -130.78 163.37 27.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 0.0 110.023 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.431 1.082 . . . . 0.0 111.006 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.1 t -81.18 -58.58 3.0 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 0.746 . . . . 0.0 110.035 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -136.15 91.41 2.68 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 0.0 110.03 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.86 -123.81 3.23 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.533 1.145 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.9 t -163.69 -58.61 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 0.773 . . . . 0.0 109.965 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.57 97.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.27 178.36 32.81 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.14 . . . . 0.0 111.026 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.529 HG13 ' N ' ' A' ' 9' ' ' SER . 11.3 p -54.01 -52.77 33.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.509 0.77 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.529 ' N ' HG13 ' A' ' 8' ' ' VAL . 34.6 t -148.51 92.03 1.96 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.997 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.1 p -174.2 157.39 2.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.473 1.108 . . . . 0.0 109.964 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -167.43 143.51 4.18 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 45.44 73.05 0.18 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 110.294 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 9.1 t -93.43 154.09 18.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -177.69 150.65 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.461 1.101 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.05 71.87 1.02 Allowed Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.548 1.155 . . . . 0.0 111.002 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 152.28 157.11 7.81 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 110.981 -0.847 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.412 ' HD2' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -74.98 129.0 11.95 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.511 1.795 . . . . 0.0 110.982 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -87.69 136.8 32.8 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.483 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.771 ' HB3' ' O ' ' A' ' 74' ' ' ASN . . . -45.76 136.44 6.06 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.125 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.1 Cg_endo -75.04 -55.18 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.49 1.784 . . . . 0.0 110.965 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.4 ' HG2' ' N ' ' A' ' 22' ' ' THR . 26.4 ttt -137.36 163.14 31.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.488 1.117 . . . . 0.0 110.984 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.449 ' OG1' ' CG ' ' A' ' 75' ' ' ARG . 93.4 m -68.92 116.95 9.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.424 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -158.9 -164.46 14.4 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.521 1.138 . . . . 0.0 110.97 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.0 m -124.81 136.67 54.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 110.412 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.87 HD13 ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -68.5 121.47 17.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.559 1.162 . . . . 0.0 109.312 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -97.77 -51.35 4.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.258 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -129.96 148.0 51.77 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.619 HG22 ' HG2' ' A' ' 43' ' ' MET . 35.3 t -129.83 97.79 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.337 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.8 m-85 -93.4 48.35 1.3 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.14 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.521 HG22 HG13 ' A' ' 28' ' ' VAL . 35.5 m -146.36 -178.18 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 109.299 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.494 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -179.56 175.27 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.308 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -77.1 145.79 37.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 59.6 26.03 61.78 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.475 1.109 . . . . 0.0 110.965 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 61' ' ' THR . 8.7 t0 -93.28 173.14 7.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 0.745 . . . . 0.0 109.348 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -125.97 132.26 52.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.273 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 m -132.55 163.32 38.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.298 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.0 OUTLIER -128.6 133.43 48.32 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.671 ' HB2' ' HA ' ' A' ' 58' ' ' LYS . . . -40.18 115.61 0.57 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.151 . . . . 0.0 109.353 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.2 34.04 5.77 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.444 1.09 . . . . 0.0 111.01 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -112.73 144.48 42.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 0.783 . . . . 0.0 109.285 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.7 p -72.16 97.86 2.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.54 HD11 ' HA ' ' A' ' 56' ' ' SER . 50.5 mt -70.66 -68.24 0.44 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.343 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.619 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.16 176.16 8.99 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 0.0 110.969 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 79.2 t -127.07 127.86 70.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.491 1.119 . . . . 0.0 109.278 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.87 ' HG2' HD13 ' A' ' 25' ' ' ILE . 79.1 mtp -110.27 169.17 8.91 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.487 1.117 . . . . 0.0 110.959 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.9 mm -134.4 121.89 38.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 109.282 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -125.07 -71.98 0.69 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.286 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 75.5 mtm -100.96 62.04 0.98 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 111.027 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 46.97 25.99 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 1.102 . . . . 0.0 109.34 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -125.11 149.07 48.22 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -92.22 117.19 29.63 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.103 . . . . 0.0 110.329 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -102.37 132.83 48.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 109.612 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 91.9 m -98.77 100.07 11.24 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 110.404 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.6 mp -72.6 96.73 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.456 1.097 . . . . 0.0 109.314 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -79.54 136.84 36.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.281 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.54 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.5 OUTLIER -61.34 144.93 91.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 1.114 . . . . 0.0 110.014 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -32.37 5.47 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.49 1.784 . . . . 0.0 111.027 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.671 ' HA ' ' HB2' ' A' ' 38' ' ' ALA . 1.9 pttt -161.87 173.33 14.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.534 1.146 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -76.72 150.03 36.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.128 . . . . 0.0 109.304 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 174.19 172.38 39.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.411 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 63.8 m -103.63 101.66 11.52 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.494 0.761 . . . . 0.0 110.446 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.494 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 77.5 t -43.44 114.01 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.8 tttm -71.83 -58.35 3.54 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.525 1.14 . . . . 0.0 109.323 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.447 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.0 OUTLIER -160.7 149.0 16.28 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.443 1.09 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.447 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 6.5 t -87.96 149.41 4.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.15 . . . . 0.0 109.333 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.514 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 21.2 m-85 -107.22 -32.11 7.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 111.063 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . . . . . . . . . 52.6 m-85 -122.03 152.79 39.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.989 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.463 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 0.1 OUTLIER -127.66 -179.59 5.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.299 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -57.38 136.08 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.54 1.15 . . . . 0.0 110.3 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 70.88 33.97 65.85 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -122.21 139.49 53.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.569 0.805 . . . . 0.0 109.285 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 13.2 tt0 -94.64 146.49 24.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -137.54 157.85 45.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.771 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 5.0 t30 -89.1 169.82 11.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.135 . . . . 0.0 109.299 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.449 ' CG ' ' OG1' ' A' ' 22' ' ' THR . 1.5 mtm180 -77.76 7.56 5.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.296 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.44 ' CD2' ' C ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -147.74 61.8 1.14 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.553 1.158 . . . . 0.0 109.56 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.401 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 1.8 p -143.04 148.1 43.82 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 110.409 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.2 Cg_endo -75.03 130.59 13.38 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.496 1.787 . . . . 0.0 110.998 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 63.0 mt -90.67 -47.26 7.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.49 1.119 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.412 HG23 ' HD2' ' A' ' 17' ' ' PRO . 0.4 OUTLIER -137.87 130.45 40.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.288 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.514 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.7 tt0 -92.08 119.91 32.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.307 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.9 m-85 -78.79 152.7 31.24 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 0.0 111.008 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -69.45 148.45 49.54 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 110.284 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -76.55 156.08 33.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.295 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -122.62 172.9 8.06 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.258 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 51.69 -161.25 0.09 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.443 1.09 . . . . 0.0 110.294 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 37.1 t -107.11 -81.49 0.56 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.066 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -126.72 64.63 1.28 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 51.61 91.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 0.0 109.277 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.0 ptt85 -155.66 177.24 11.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 0.0 110.317 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -172.63 162.83 5.18 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.267 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 70.7 p -100.53 116.63 32.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.981 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -175.48 151.28 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.303 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.07 170.62 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.5 1.125 . . . . 0.0 110.023 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -117.65 120.28 4.71 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.493 1.121 . . . . 0.0 111.014 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 151.19 39.45 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.506 1.792 . . . . 0.0 111.05 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 20.7 p -64.88 165.39 10.8 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.03 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.6 p -53.82 166.85 0.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.446 1.091 . . . . 0.0 110.034 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 O-C-N 124.463 1.102 . . . . 0.0 110.948 179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 p -150.85 155.59 39.49 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 0.749 . . . . 0.0 109.956 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.79 129.83 2.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 1.12 . . . . 0.0 109.994 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.02 72.94 0.35 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.463 1.102 . . . . 0.0 111.04 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.8 p -175.97 86.32 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 0.763 . . . . 0.0 110.031 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 84.8 p -162.36 166.96 24.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 0.0 109.984 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 139.16 108.95 0.82 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.521 1.138 . . . . 0.0 110.958 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 68.0 t -87.53 86.24 2.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.589 0.817 . . . . 0.0 109.29 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.7 m -158.67 160.6 36.63 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.015 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.7 p -98.9 120.83 40.0 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 109.979 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -157.6 86.64 0.93 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.482 1.114 . . . . 0.0 110.278 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.24 145.39 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 110.35 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 15.9 m -114.16 129.17 56.63 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.395 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.1 pm0 -166.62 154.69 10.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.459 1.099 . . . . 0.0 110.293 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -138.72 -66.21 0.04 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 110.994 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -63.81 167.01 26.42 Favored Glycine 0 CA--C 1.531 1.032 0 N-CA-C 110.964 -0.854 . . . . 0.0 110.964 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 142.12 27.44 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.551 1.816 . . . . 0.0 110.999 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 68.1 mt -109.58 125.05 52.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 109.294 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.72 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -41.96 127.82 2.61 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.306 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -16.68 20.03 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.504 1.792 . . . . 0.0 110.99 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.466 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 2.2 ptp -166.94 163.92 16.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.417 1.073 . . . . 0.0 111.028 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 51.6 m -75.35 112.53 11.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 110.398 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -152.06 -171.51 19.83 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.451 ' O ' ' N ' ' A' ' 46' ' ' ILE . 16.8 m -116.36 150.7 37.29 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 0.793 . . . . 0.0 110.379 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.66 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.6 mm -80.58 128.28 38.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.266 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.408 ' HB2' ' CG1' ' A' ' 46' ' ' ILE . 5.6 tp10 -107.03 -44.4 4.4 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.283 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.22 146.79 43.05 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.643 HG22 ' HG2' ' A' ' 43' ' ' MET . 37.6 t -130.57 97.79 3.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.9 m-85 -95.28 49.42 1.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 110.965 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.457 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 27.7 m -148.67 -168.8 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.315 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.5 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 177.18 -169.8 0.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.547 1.154 . . . . 0.0 109.3 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -96.68 142.01 29.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.55 24.01 72.3 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.515 1.135 . . . . 0.0 111.037 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.855 ' O ' HG23 ' A' ' 61' ' ' THR . 3.3 t0 -97.51 171.92 8.07 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.766 . . . . 0.0 109.237 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 4.1 mptt -126.13 134.07 51.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.4 m -132.65 178.99 4.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.12 . . . . 0.0 109.328 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -132.55 135.97 46.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.261 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.14 124.37 1.85 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.464 1.102 . . . . 0.0 109.229 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 82.18 42.05 8.96 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.464 1.102 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -111.84 147.99 34.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 0.747 . . . . 0.0 109.298 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.8 p -72.96 88.99 1.39 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.556 1.16 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.457 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 95.5 mt -67.34 -67.02 0.49 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 1.139 . . . . 0.0 109.252 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.643 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.97 176.53 8.67 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.488 1.117 . . . . 0.0 110.994 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 74.2 t -126.41 125.01 66.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.484 1.115 . . . . 0.0 109.355 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.66 ' HG2' HD13 ' A' ' 25' ' ' ILE . 83.6 mtp -106.16 168.27 9.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 111.019 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.894 HD13 ' HA ' ' A' ' 51' ' ' GLU . 19.9 mm -134.06 127.37 51.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.294 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -130.42 -95.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.43 ' C ' ' N ' ' A' ' 50' ' ' MET . 14.5 mtt -73.43 72.34 1.34 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.571 1.169 . . . . 0.0 111.001 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 48' ' ' MET . 16.1 mmtt 40.37 29.73 0.07 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.476 ' HG2' ' CE1' ' A' ' 52' ' ' HIS . 1.5 ttt -138.84 152.62 47.98 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.894 ' HA ' HD13 ' A' ' 46' ' ' ILE . 1.9 pt-20 -101.83 137.36 40.23 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.284 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.476 ' CE1' ' HG2' ' A' ' 50' ' ' MET . 2.0 m-70 -124.79 136.38 53.78 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.616 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 18.9 m -84.97 113.71 21.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 110.408 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.447 HD11 ' HB2' ' A' ' 45' ' ' MET . 5.5 mm -71.74 100.78 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 0.0 109.294 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.72 142.76 33.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.497 1.123 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.433 ' OG ' HD11 ' A' ' 42' ' ' LEU . 0.4 OUTLIER -67.96 141.99 94.95 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 109.988 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 56' ' ' SER . 18.1 Cg_endo -75.06 -32.13 5.56 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.461 1.769 . . . . 0.0 111.003 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 4.1 pttt -160.26 -173.84 4.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.292 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -89.21 150.02 22.85 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.302 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 162.49 164.64 17.92 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.558 1.161 . . . . 0.0 111.01 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.855 HG23 ' O ' ' A' ' 34' ' ' ASP . 2.9 m -98.45 107.74 20.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.55 0.794 . . . . 0.0 110.393 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.5 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 60.7 t -43.31 120.27 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -81.31 -56.95 3.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.434 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -153.45 149.72 28.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.5 HG22 HG12 ' A' ' 80' ' ' VAL . 46.3 t -97.92 149.38 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -105.61 -37.83 6.63 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.519 1.137 . . . . 0.0 110.998 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.443 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 71.8 m-85 -115.86 147.79 40.67 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 1.1 mtt85 -125.62 -178.3 4.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 110.305 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -55.6 135.94 50.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.267 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 67.31 38.65 91.64 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.549 1.155 . . . . 0.0 110.961 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -112.22 142.83 44.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 0.753 . . . . 0.0 109.325 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 1.5 tt0 -94.15 108.87 20.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 110.285 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.443 ' HA ' ' CE2' ' A' ' 67' ' ' TYR . . . -100.59 162.08 13.17 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 109.343 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.473 ' CB ' HG21 ' A' ' 77' ' ' THR . 1.6 t30 -117.79 168.11 10.77 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.475 1.11 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CD ' ' HA ' ' A' ' 21' ' ' MET . 8.5 ttt180 -70.91 119.72 15.44 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.417 ' NE2' ' HG2' ' A' ' 75' ' ' ARG . 5.6 m170 80.83 50.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 0.0 109.577 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.473 HG21 ' CB ' ' A' ' 74' ' ' ASN . 48.5 p -124.84 152.56 69.95 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 110.405 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 120.48 6.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.465 1.771 . . . . 0.0 111.032 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 19' ' ' ALA . 24.6 mt -93.82 -54.61 3.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.5 HG12 HG22 ' A' ' 65' ' ' VAL . 1.9 m -137.91 149.6 25.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.542 1.151 . . . . 0.0 109.322 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -105.19 153.15 21.95 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -107.91 155.07 20.71 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.534 1.146 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -74.98 163.16 27.92 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 110.265 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' O ' ' O ' ' A' ' 85' ' ' GLU . 7.2 mt-10 -86.51 146.38 26.41 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 110.341 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.55 ' CG ' ' N ' ' A' ' 86' ' ' GLU . 1.2 pt-20 43.75 -169.5 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.328 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.55 ' N ' ' CG ' ' A' ' 85' ' ' GLU . 1.2 tp10 60.5 121.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.302 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 44.6 t -152.42 132.61 13.56 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.5 1.125 . . . . 0.0 109.999 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -68.33 89.45 0.33 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 109.265 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.86 138.3 57.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.77 -55.76 2.33 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.495 1.122 . . . . 0.0 110.309 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -162.33 129.26 3.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 110.329 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 33.0 m -133.02 111.82 11.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 110.027 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -166.56 134.09 2.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 110.316 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -110.92 168.08 9.75 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.004 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.02 157.64 27.28 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.492 1.12 . . . . 0.0 111.033 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 -169.66 0.66 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.448 1.762 . . . . 0.0 111.012 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 17.0 p -151.06 -58.37 0.17 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.938 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.4 t 76.6 -153.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.432 1.082 . . . . 0.0 110.032 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.515 1.135 . . . . 0.0 110.981 179.992 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.011 -0.835 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -137.81 -58.47 0.67 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.443 0.731 . . . . 0.0 110.067 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 m -115.24 150.37 36.26 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.005 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.69 103.31 0.17 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.474 1.109 . . . . 0.0 111.043 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -138.84 -58.43 0.61 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.555 0.797 . . . . 0.0 110.027 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 96.2 p -82.52 103.43 12.06 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 98.4 -174.59 28.54 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.458 1.098 . . . . 0.0 111.01 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 8.4 p -138.18 121.5 20.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.493 0.761 . . . . 0.0 109.314 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.1 t 43.04 77.92 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.5 t -172.49 120.25 0.4 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 13.4 mt-30 -153.48 112.79 3.79 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.531 1.145 . . . . 0.0 110.258 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.55 82.28 6.95 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 110.299 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.6 t -109.52 148.93 30.38 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.504 1.128 . . . . 0.0 110.396 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 31.3 tt0 -170.67 120.19 0.56 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 110.309 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -179.76 -51.95 0.08 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.476 1.11 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -122.21 -167.51 13.06 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.454 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.2 Cg_endo -75.02 128.46 11.48 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.983 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.6 mt -91.37 132.26 36.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.446 1.091 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.93 145.11 65.56 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -30.03 7.68 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.468 1.772 . . . . 0.0 111.003 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.428 ' CG ' ' N ' ' A' ' 22' ' ' THR . 3.9 ttt -178.34 161.81 1.45 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.554 HG23 ' O ' ' A' ' 73' ' ' ALA . 36.3 m -57.97 109.58 0.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 1.136 . . . . 0.0 110.407 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.49 -154.43 6.46 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 89.7 m -131.92 132.46 43.59 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.499 0.764 . . . . 0.0 110.443 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.7 HD13 ' HG2' ' A' ' 45' ' ' MET . 19.4 mm -73.69 115.81 15.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.493 1.121 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -90.74 -53.11 4.55 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 mmtt -131.43 154.71 48.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.312 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.453 HG22 ' HG2' ' A' ' 43' ' ' MET . 53.5 t -136.57 100.68 2.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.261 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 23.7 m-85 -97.99 50.31 1.02 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.987 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.7 m -149.13 -177.44 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.321 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 176.05 167.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -69.61 145.6 52.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.296 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.415 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 62.05 20.35 60.19 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.492 1.12 . . . . 0.0 110.986 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.485 ' HB2' ' CD ' ' A' ' 31' ' ' LYS . 22.8 t0 -92.6 168.27 11.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.284 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.402 ' HD3' HG23 ' A' ' 61' ' ' THR . 2.2 mmtp -123.22 133.18 54.23 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.455 1.097 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 7.8 m -130.95 176.93 7.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.325 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' A' ' 38' ' ' ALA . 2.1 mttt -133.07 133.45 43.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.266 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.84 117.15 0.72 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.0 31.81 14.0 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.476 1.11 . . . . 0.0 110.989 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -100.44 147.22 26.1 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.51 0.771 . . . . 0.0 109.327 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.2 p -70.08 87.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.973 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.561 HD11 ' HA ' ' A' ' 56' ' ' SER . 81.5 mt -65.37 -68.23 0.38 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 109.252 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.453 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -140.12 176.52 8.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 54.4 t -126.54 122.46 61.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 109.294 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.7 ' HG2' HD13 ' A' ' 25' ' ' ILE . 70.5 mtp -105.71 169.39 8.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.988 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.8 mt -140.14 101.52 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 109.29 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.524 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -131.42 165.19 24.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 50.61 24.13 1.56 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.133 . . . . 0.0 111.039 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.9 mmtt 67.76 17.82 9.77 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 109.304 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.469 ' O ' ' CE1' ' A' ' 52' ' ' HIS . 16.8 tpp -128.4 145.6 51.03 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 0.0 110.983 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -77.19 146.12 37.23 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 0.0 110.249 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.524 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.5 m-70 -133.99 160.07 38.82 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 0.0 109.581 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 28.9 m -118.78 107.77 14.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.441 1.088 . . . . 0.0 110.38 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 45' ' ' MET . 9.8 mm -75.01 98.24 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.516 1.135 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -88.35 156.73 19.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.514 1.134 . . . . 0.0 109.322 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.561 ' HA ' HD11 ' A' ' 42' ' ' LEU . 1.2 t -79.8 136.95 54.47 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.457 1.098 . . . . 0.0 110.014 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -29.79 7.87 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.53 1.805 . . . . 0.0 111.019 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -161.63 169.23 22.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.497 1.123 . . . . 0.0 109.335 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -80.99 148.93 29.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 166.69 165.72 24.55 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 111.005 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 45.9 m -87.95 107.8 18.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 0.762 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 54.2 t -45.85 108.27 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 40.6 tttt -65.52 -59.18 4.24 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.48 1.113 . . . . 0.0 109.309 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -163.13 148.52 11.65 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.48 1.112 . . . . 0.0 109.322 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.453 HG13 ' CG1' ' A' ' 80' ' ' VAL . 4.0 t -95.8 140.05 17.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.4 ' CE2' ' HB2' ' A' ' 81' ' ' GLU . 49.1 m-85 -96.86 -26.99 14.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.48 1.113 . . . . 0.0 110.987 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.409 ' CE2' ' HA ' ' A' ' 73' ' ' ALA . 79.1 m-85 -119.51 148.93 42.71 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 110.974 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -125.75 -173.16 2.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.132 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -56.51 147.29 22.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.425 ' N ' ' O ' ' A' ' 25' ' ' ILE . . . 45.2 56.51 6.06 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.5 1.125 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -117.82 167.83 11.03 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.282 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.5 mt-30 -104.67 113.55 27.2 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.283 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.554 ' O ' HG23 ' A' ' 22' ' ' THR . . . -89.82 163.8 14.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.316 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.564 ' HB2' HG21 ' A' ' 77' ' ' THR . 5.4 m-20 -117.15 168.44 10.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 1.1 . . . . 0.0 109.33 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.516 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp85 -83.27 93.95 7.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 0.0 110.299 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.516 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 2.4 m170 88.7 70.83 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 109.568 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.564 HG21 ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -140.12 153.94 69.7 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.51 1.131 . . . . 0.0 110.379 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.421 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.94 106.61 2.3 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.455 1.766 . . . . 0.0 111.022 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.405 HD13 HG21 ' A' ' 54' ' ' ILE . 29.2 mt -72.3 -51.75 19.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.569 1.168 . . . . 0.0 109.297 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.454 HG23 ' CD ' ' A' ' 17' ' ' PRO . 2.5 m -130.06 163.73 34.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.4 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 2.1 tt0 -124.84 127.19 46.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 110.289 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 36.1 m-85 -83.58 154.15 23.94 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.482 1.114 . . . . 0.0 110.957 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -72.14 164.69 25.76 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.126 . . . . 0.0 110.286 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.6 mt-10 -65.2 110.06 2.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.515 1.135 . . . . 0.0 110.278 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -48.63 153.87 0.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 110.236 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -128.6 83.89 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 22.8 m -90.39 110.39 21.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.117 . . . . 0.0 109.971 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -157.93 96.97 1.51 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.124 . . . . 0.0 109.3 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.11 176.96 0.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.563 1.164 . . . . 0.0 109.309 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 3.9 mtt-85 61.35 149.8 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.97 100.34 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.532 1.145 . . . . 0.0 110.312 -179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 55.3 p -113.54 121.78 45.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.102 . . . . 0.0 110.023 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -114.82 92.75 4.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -167.6 157.49 10.5 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -125.22 154.46 18.39 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.511 1.132 . . . . 0.0 110.97 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 115.09 4.18 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.52 1.8 . . . . 0.0 111.024 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 9.3 m -74.49 158.54 33.62 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.4 t -165.09 111.12 0.94 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 110.05 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 O-C-N 124.458 1.099 . . . . 0.0 110.993 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 66.7 m -154.5 159.22 40.86 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.003 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.0 p 178.51 146.45 0.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 110.0 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -172.8 78.47 0.08 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.509 1.13 . . . . 0.0 111.019 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -86.77 107.62 18.35 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 109.993 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.71 -60.98 0.64 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.971 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.407 ' C ' HG22 ' A' ' 8' ' ' VAL . . . 163.38 87.98 0.07 OUTLIER Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.545 1.153 . . . . 0.0 110.985 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.407 HG22 ' C ' ' A' ' 7' ' ' GLY . 26.9 m 41.12 52.41 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.571 0.806 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.4 t -94.84 137.9 33.33 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.12 . . . . 0.0 109.993 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -129.39 -61.26 1.03 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 0.0 110.005 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.8 mt-30 67.81 91.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -156.36 120.52 4.45 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.511 1.132 . . . . 0.0 110.329 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.7 m -106.61 -69.98 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.553 1.158 . . . . 0.0 110.383 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -66.59 154.96 39.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.561 1.163 . . . . 0.0 110.281 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 108.78 -93.95 0.81 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.541 1.15 . . . . 0.0 110.968 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.64 161.74 52.55 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 110.988 -0.845 . . . . 0.0 110.988 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -75.04 134.56 17.89 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.51 1.795 . . . . 0.0 110.989 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 19' ' ' ALA . 63.5 mt -100.07 115.44 29.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.137 . . . . 0.0 109.287 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.455 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -40.28 143.78 0.61 Allowed Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 0.0 109.31 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.413 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.4 Cg_endo -74.98 -41.14 0.71 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.463 1.77 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 1.1 ptt? -147.57 179.08 7.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.471 HG23 ' O ' ' A' ' 73' ' ' ALA . 7.5 m -84.68 113.03 21.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 110.43 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -147.61 -165.45 11.89 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.52 1.138 . . . . 0.0 110.977 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.409 ' O ' ' N ' ' A' ' 46' ' ' ILE . 40.6 m -120.0 142.97 48.32 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 0.769 . . . . 0.0 110.426 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.705 HD13 ' HG2' ' A' ' 45' ' ' MET . 18.6 mm -75.0 122.18 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.341 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.8 tp10 -97.99 -48.26 5.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.328 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.2 mmpt? -136.22 146.27 46.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.511 HG22 ' HG2' ' A' ' 43' ' ' MET . 25.2 t -128.09 99.37 5.06 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.293 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 30.1 m-85 -98.06 50.91 1.02 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 110.982 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 30.6 m -148.55 -178.57 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 0.0 109.275 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.499 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER 179.88 174.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.311 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.04 146.23 39.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 60.75 21.71 58.66 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.509 1.131 . . . . 0.0 110.999 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HA ' ' A' ' 61' ' ' THR . 9.0 t0 -90.46 171.31 9.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 0.759 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.4 ' HD3' HG23 ' A' ' 61' ' ' THR . 2.9 mmtp -126.22 133.46 51.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.496 HG11 ' CD2' ' A' ' 42' ' ' LEU . 14.3 m -135.4 168.75 22.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 109.292 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' A' ' 38' ' ' ALA . 0.1 OUTLIER -127.94 135.79 50.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.456 1.097 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.4 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.98 118.31 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.302 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 88.77 36.9 7.6 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.446 1.091 . . . . 0.0 110.987 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -108.49 145.95 33.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 0.762 . . . . 0.0 109.321 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.9 p -69.79 87.94 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.496 ' CD2' HG11 ' A' ' 36' ' ' VAL . 96.5 mt -67.11 -68.25 0.39 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.511 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -140.27 176.32 8.86 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.569 1.168 . . . . 0.0 110.989 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 92.2 t -124.26 133.86 68.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.527 1.142 . . . . 0.0 109.309 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.705 ' HG2' HD13 ' A' ' 25' ' ' ILE . 68.1 mtp -115.79 169.11 9.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 1.143 . . . . 0.0 110.973 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.808 HD13 ' HA ' ' A' ' 51' ' ' GLU . 14.7 mm -140.28 107.85 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.142 . . . . 0.0 109.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 49' ' ' LYS . . . -108.66 -99.5 0.38 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.353 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.443 ' C ' ' N ' ' A' ' 50' ' ' MET . 7.1 mtp -66.85 68.09 0.06 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 110.972 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 47' ' ' ALA . 2.1 mmtt 39.94 30.13 0.06 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' C ' ' A' ' 48' ' ' MET . 1.5 mtt -130.9 158.22 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.534 1.146 . . . . 0.0 111.021 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.808 ' HA ' HD13 ' A' ' 46' ' ' ILE . 5.6 tt0 -97.64 138.32 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.117 . . . . 0.0 110.257 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 2.9 m-70 -130.4 150.34 51.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.6 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 23.0 m -105.53 111.31 23.96 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.52 1.137 . . . . 0.0 110.371 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 9.0 mm -71.6 97.16 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.8 mmtt -78.85 134.99 36.91 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.152 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.7 t -62.0 142.79 95.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 110.014 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -33.18 4.75 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.484 1.781 . . . . 0.0 110.952 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 6.0 pttt -163.99 168.94 18.67 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 1.128 . . . . 0.0 109.343 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -79.13 146.68 33.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 0.0 109.257 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 173.26 -171.63 44.6 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.487 1.117 . . . . 0.0 110.997 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.421 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 52.6 m -113.25 103.31 11.2 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 0.76 . . . . 0.0 110.377 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.499 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 75.5 t -42.95 118.19 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 109.277 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 15.0 tttm -76.24 -57.4 3.89 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.5 OUTLIER -162.35 141.34 9.21 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.514 HG13 ' CG1' ' A' ' 80' ' ' VAL . 3.9 t -90.31 137.99 20.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 0.0 109.301 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 -99.92 -24.3 14.68 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.99 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.416 ' O ' HG12 ' A' ' 65' ' ' VAL . 51.1 m-85 -120.37 144.59 47.81 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.409 ' HA ' HG21 ' A' ' 28' ' ' VAL . 4.7 mmt180 -127.81 -179.25 4.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 110.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -56.05 129.21 38.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.14 . . . . 0.0 110.343 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 73.11 46.25 28.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.478 1.111 . . . . 0.0 111.025 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -118.06 139.58 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 0.768 . . . . 0.0 109.321 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.2 tt0 -89.17 111.67 22.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.272 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' O ' HG23 ' A' ' 22' ' ' THR . . . -105.89 164.49 11.91 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.427 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.7 OUTLIER -118.57 169.63 9.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.298 179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 22' ' ' THR . 17.4 mtm180 -66.72 124.42 22.84 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.145 . . . . 0.0 110.279 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 66.87 63.67 0.48 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.633 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.427 HG21 ' CB ' ' A' ' 74' ' ' ASN . 18.4 p -128.45 152.05 77.66 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.528 1.143 . . . . 0.0 110.383 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.86 4.71 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.485 1.781 . . . . 0.0 110.966 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.455 HD21 ' HB2' ' A' ' 19' ' ' ALA . 48.9 mt -89.94 -51.84 5.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' CG1' HG13 ' A' ' 65' ' ' VAL . 2.6 m -133.5 164.33 35.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 109.286 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -125.21 118.26 25.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -77.71 153.05 33.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -71.77 169.94 14.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -59.24 142.07 52.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.545 1.153 . . . . 0.0 110.259 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.71 157.87 37.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 0.0 110.272 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -118.52 101.24 7.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 110.323 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -80.8 158.42 25.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.112 . . . . 0.0 109.991 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 47.1 t0 179.0 -37.04 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.55 1.156 . . . . 0.0 109.305 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 63.06 124.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.56 91.88 2.91 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.511 1.132 . . . . 0.0 110.321 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -175.34 141.43 0.54 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 110.282 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -172.02 112.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.17 92.61 0.13 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -175.71 160.94 2.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 110.048 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.18 66.07 0.22 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.553 1.158 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 153.76 41.87 Favored 'Trans proline' 0 C--N 1.361 1.226 0 O-C-N 124.498 1.789 . . . . 0.0 111.014 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -176.28 101.29 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 0.0 110.018 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.5 t -172.08 -58.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.011 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.525 1.14 . . . . 0.0 111.024 -179.976 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 110.971 -0.852 . . . . 0.0 110.971 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -123.19 146.57 47.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 0.766 . . . . 0.0 110.006 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -91.81 136.58 33.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.002 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 119.8 76.35 0.48 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.476 1.11 . . . . 0.0 111.043 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -149.63 -58.0 0.2 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 0.776 . . . . 0.0 109.984 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 t -67.65 97.38 0.61 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.549 1.156 . . . . 0.0 109.945 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -110.46 -172.72 20.08 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.492 1.12 . . . . 0.0 111.001 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 8' ' ' VAL . 9.9 p -97.34 119.35 45.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.519 0.776 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.08 89.56 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 110.002 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 50.9 m 49.56 92.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 0.0 109.998 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -108.79 168.25 9.48 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.512 1.133 . . . . 0.0 110.329 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -173.44 -59.35 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.528 1.143 . . . . 0.0 110.292 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 13.5 t -127.7 152.18 48.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.427 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.6 tt0 -140.85 124.01 16.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 1.128 . . . . 0.0 110.296 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 127.19 74.24 0.19 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.563 1.164 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 128.51 155.34 8.61 Favored Glycine 0 CA--C 1.53 0.976 0 N-CA-C 111.035 -0.826 . . . . 0.0 111.035 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.459 ' CD ' HG23 ' A' ' 80' ' ' VAL . 18.3 Cg_endo -74.95 162.9 36.45 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.532 1.806 . . . . 0.0 111.009 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 48.3 mt -122.76 127.18 48.83 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.52 1.138 . . . . 0.0 109.354 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.416 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . . . -47.01 136.57 8.17 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' ALA . 18.3 Cg_endo -74.99 -17.67 19.37 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.536 1.809 . . . . 0.0 110.977 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.409 ' HA ' ' CD ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER 178.61 159.88 0.58 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.53 1.144 . . . . 0.0 111.013 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 28.1 m -57.93 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.391 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.11 -170.62 16.26 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.505 1.128 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 23.6 m -122.91 136.52 54.89 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.52 0.776 . . . . 0.0 110.431 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.649 HD13 ' CG ' ' A' ' 45' ' ' MET . 27.9 mm -72.04 104.19 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 109.297 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' A' ' 44' ' ' VAL . 5.9 tp10 -74.36 -43.09 58.02 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.542 1.151 . . . . 0.0 110.289 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -133.77 164.11 27.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.562 1.164 . . . . 0.0 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.911 HG22 ' SD ' ' A' ' 43' ' ' MET . 44.8 t -144.54 96.23 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 28.8 m-85 -98.88 50.78 0.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.125 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.435 HG21 HG11 ' A' ' 80' ' ' VAL . 31.3 m -151.22 -176.91 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.562 1.164 . . . . 0.0 109.262 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.501 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.58 -167.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.442 1.089 . . . . 0.0 109.328 179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -95.3 142.37 27.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 66.21 20.76 69.52 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.549 1.155 . . . . 0.0 110.988 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.749 ' O ' HG23 ' A' ' 61' ' ' THR . 0.6 OUTLIER -95.33 161.6 14.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.54 142.91 46.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 1.143 . . . . 0.0 109.281 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 m -143.64 159.99 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.3 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.465 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -108.09 134.45 50.95 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.505 1.128 . . . . 0.0 109.347 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.12 113.01 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.549 1.156 . . . . 0.0 109.302 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.41 44.41 2.75 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.532 1.145 . . . . 0.0 111.013 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -112.54 143.72 43.22 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 0.769 . . . . 0.0 109.337 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.0 p -71.19 84.82 0.75 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.478 1.111 . . . . 0.0 109.964 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.437 ' C ' ' HG2' ' A' ' 43' ' ' MET . 61.7 mt -57.88 -72.72 0.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.516 1.135 . . . . 0.0 109.307 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.911 ' SD ' HG22 ' A' ' 28' ' ' VAL . 0.1 OUTLIER -134.39 178.23 7.14 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 110.966 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 26' ' ' GLU . 92.6 t -125.79 132.87 70.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.312 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.649 ' CG ' HD13 ' A' ' 25' ' ' ILE . 4.2 mtp -112.31 164.89 12.71 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.501 1.126 . . . . 0.0 110.995 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.434 ' CG1' ' HB2' ' A' ' 26' ' ' GLU . 10.4 mm -136.56 111.74 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.247 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.471 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -117.28 -73.72 0.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 1.2 mtp -96.59 62.02 1.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 1.118 . . . . 0.0 111.005 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 12.9 mmtt 45.51 26.91 0.35 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.106 . . . . 0.0 109.29 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 2.1 mmm -125.48 151.09 46.73 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.513 1.133 . . . . 0.0 110.963 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -86.37 121.36 28.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.286 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.471 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 4.8 m-70 -107.84 117.43 34.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 109.623 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 33.1 m -90.48 98.54 11.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.401 1.063 . . . . 0.0 110.401 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.521 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.5 mp -71.06 94.98 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 0.0 109.264 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -80.16 139.53 36.75 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.282 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -58.79 140.61 85.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.99 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -23.03 14.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 0.0 110.976 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 8.3 pttt -164.91 -179.85 6.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.313 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -86.92 139.45 30.61 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.576 1.173 . . . . 0.0 109.327 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 175.29 165.15 31.02 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.498 1.124 . . . . 0.0 111.014 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.749 HG23 ' O ' ' A' ' 34' ' ' ASP . 49.3 m -97.44 108.44 21.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.475 0.75 . . . . 0.0 110.376 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.501 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 94.6 t -44.48 119.96 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 109.272 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 9.1 tttp -73.4 -56.72 4.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 0.0 109.274 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 2.7 mtpt -152.96 168.51 25.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.67 HG13 HG12 ' A' ' 80' ' ' VAL . 3.5 t -122.89 134.51 65.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.466 1.104 . . . . 0.0 109.267 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.603 ' O ' ' CD1' ' A' ' 67' ' ' TYR . 47.1 m-85 -116.88 25.58 10.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.603 ' CD1' ' O ' ' A' ' 66' ' ' PHE . 56.2 m-85 -158.27 141.18 14.77 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.531 1.144 . . . . 0.0 110.994 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.46 ' HA ' HG21 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -130.54 -174.24 3.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.33 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -59.58 126.11 26.32 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 110.345 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 74.15 41.68 38.45 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 111.027 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -106.44 138.46 42.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 0.0 109.296 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 4.1 tt0 -87.35 121.09 29.34 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 110.275 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -118.96 163.09 17.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.112 . . . . 0.0 109.31 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.422 ' CB ' HG21 ' A' ' 77' ' ' THR . 0.4 OUTLIER -118.36 168.04 11.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.289 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' CB ' ' A' ' 76' ' ' HIS . 2.6 ttp180 -70.57 120.03 15.59 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.436 1.085 . . . . 0.0 110.323 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.412 ' CB ' ' O ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER 81.14 51.56 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.519 1.137 . . . . 0.0 109.627 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.44 ' HA ' ' HD3' ' A' ' 78' ' ' PRO . 45.6 p -125.96 145.0 50.5 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 110.432 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 77' ' ' THR . 18.4 Cg_endo -74.97 108.51 2.73 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.435 1.755 . . . . 0.0 111.027 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.54 -45.1 22.64 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.67 HG12 HG13 ' A' ' 65' ' ' VAL . 4.5 m -137.93 167.55 22.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -123.84 155.3 38.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 42.3 m-85 -112.55 151.95 29.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -76.45 168.31 20.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.113 . . . . 0.0 110.273 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -84.88 71.65 10.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 110.333 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.31 178.36 3.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.122 . . . . 0.0 110.283 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . 0.463 ' O ' ' CB ' ' A' ' 87' ' ' SER . 0.1 OUTLIER -60.43 -73.47 0.09 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.468 1.105 . . . . 0.0 110.278 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . 0.463 ' CB ' ' O ' ' A' ' 86' ' ' GLU . 0.4 OUTLIER 83.31 158.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.003 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 60.11 86.13 0.1 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.462 1.101 . . . . 0.0 109.27 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -108.99 98.49 7.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.332 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.29 105.33 0.49 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 0.0 110.311 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -151.83 -56.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 6.4 t -50.04 -61.69 2.0 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 110.033 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 63.19 118.71 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 110.309 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.0 t -87.4 150.91 23.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.001 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -161.07 96.93 0.15 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.466 1.104 . . . . 0.0 110.992 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 169.11 23.34 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.529 1.805 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 10.2 t -134.09 163.14 30.24 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.2 t 61.66 154.33 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.016 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 -180.0 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 110.986 -0.846 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.0 m -58.63 171.46 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 0.767 . . . . 0.0 110.002 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.6 t -100.76 142.8 31.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.011 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 146.3 -84.73 0.18 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.525 1.141 . . . . 0.0 111.006 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 60.99 161.75 0.06 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -161.66 138.2 8.23 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.454 1.096 . . . . 0.0 109.984 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.25 -167.99 12.46 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.447 1.092 . . . . 0.0 111.028 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.575 ' O ' HG13 ' A' ' 8' ' ' VAL . 12.8 p -111.56 64.29 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.544 0.79 . . . . 0.0 109.332 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.3 m -124.85 124.61 42.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.484 1.115 . . . . 0.0 110.046 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -101.96 -53.5 2.93 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 109.958 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -56.2 -64.62 0.8 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -146.25 135.03 22.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 0.0 110.309 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.4 m -88.97 -59.31 2.26 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.125 . . . . 0.0 110.422 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -65.42 104.69 1.01 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 110.259 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -125.39 -63.94 0.17 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.479 1.112 . . . . 0.0 110.984 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . 173.54 -166.28 38.55 Favored Glycine 0 CA--C 1.53 0.993 0 N-CA-C 110.955 -0.858 . . . . 0.0 110.955 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.04 3.04 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.439 1.757 . . . . 0.0 111.005 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 76' ' ' HIS . 10.7 mt -68.2 155.92 38.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.319 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HB3' ' O ' ' A' ' 74' ' ' ASN . . . -60.06 139.18 91.06 Favored Pre-proline 0 C--N 1.324 -0.538 0 O-C-N 124.531 1.145 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -28.22 9.27 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.464 1.77 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.425 ' HA ' ' CG ' ' A' ' 75' ' ' ARG . 10.5 ttm -169.68 153.27 4.92 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.12 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 37.5 m -57.95 105.27 0.25 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.433 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -151.84 -169.36 17.27 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.491 1.119 . . . . 0.0 111.02 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.419 ' O ' ' N ' ' A' ' 46' ' ' ILE . 94.1 m -118.62 146.52 44.58 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.764 . . . . 0.0 110.445 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.745 HD13 ' HG2' ' A' ' 45' ' ' MET . 15.5 mm -73.39 122.99 27.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.555 1.159 . . . . 0.0 109.314 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -99.5 -51.02 3.89 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.46 1.1 . . . . 0.0 110.271 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -134.41 148.94 50.74 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.588 HG22 ' HG2' ' A' ' 43' ' ' MET . 43.5 t -130.05 100.07 4.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.519 1.137 . . . . 0.0 109.324 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.6 m-85 -99.22 50.57 0.95 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 111.009 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.756 HG21 HG11 ' A' ' 80' ' ' VAL . 31.3 m -149.13 -175.86 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.519 1.137 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.484 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -175.66 -166.78 0.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 -179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.413 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -100.14 148.75 24.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 1.113 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.431 ' N ' ' O ' ' A' ' 62' ' ' VAL . . . 61.5 21.14 59.85 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.468 ' OD1' ' CE ' ' A' ' 31' ' ' LYS . 0.3 OUTLIER -95.81 168.03 10.9 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.516 0.774 . . . . 0.0 109.318 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 35' ' ' LYS . 0.0 OUTLIER -126.01 127.82 46.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 35.7 m -125.02 158.49 32.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 109.282 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.463 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -109.08 135.25 50.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.298 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' A' ' 37' ' ' LYS . . . -39.77 113.14 0.31 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.317 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.49 46.05 2.62 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -115.99 141.25 48.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 0.771 . . . . 0.0 109.318 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 53.7 p -67.63 91.15 0.28 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.494 1.121 . . . . 0.0 110.007 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.589 HD11 ' HA ' ' A' ' 56' ' ' SER . 67.6 mt -63.71 -71.17 0.18 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.262 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.588 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.4 OUTLIER -140.34 176.43 8.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.46 1.1 . . . . 0.0 110.987 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 85.8 t -125.83 132.58 70.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 0.0 109.275 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.745 ' HG2' HD13 ' A' ' 25' ' ' ILE . 75.3 mtp -114.78 168.81 9.57 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.527 1.142 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.419 ' N ' ' O ' ' A' ' 24' ' ' THR . 11.6 mm -134.52 122.02 38.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 0.0 109.322 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.522 ' HB3' ' NE2' ' A' ' 52' ' ' HIS . . . -125.84 -73.2 0.63 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 1.097 . . . . 0.0 109.332 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.4 mtt -103.05 63.19 0.81 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.982 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.6 mmtt 47.05 28.35 0.89 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . . . . . . . . . 4.5 mmt -127.22 147.11 50.22 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -90.26 114.92 27.05 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.273 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . 0.522 ' NE2' ' HB3' ' A' ' 47' ' ' ALA . 5.2 m-70 -98.98 120.43 39.42 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.588 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 43.9 m -90.29 100.41 13.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.556 1.16 . . . . 0.0 110.412 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 2.1 mp -71.59 99.76 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 109.298 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.3 mmtt -82.06 137.62 35.01 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.486 1.116 . . . . 0.0 109.283 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.589 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -57.37 143.19 74.65 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.005 179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -31.69 5.99 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.487 1.783 . . . . 0.0 110.991 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.18 -173.62 3.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.259 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -95.32 137.81 33.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.29 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 177.53 -176.67 48.15 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.447 1.092 . . . . 0.0 111.011 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.465 HG23 ' O ' ' A' ' 34' ' ' ASP . 15.3 m -108.19 123.14 48.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 0.764 . . . . 0.0 110.437 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.484 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 95.5 t -68.9 109.22 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 109.304 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -67.98 -46.0 72.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.4 177.95 9.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.56 HG12 ' H ' ' A' ' 66' ' ' PHE . 6.0 t -115.71 172.46 4.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.56 ' H ' HG12 ' A' ' 65' ' ' VAL . 39.8 m-85 -122.32 -38.68 2.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.984 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.425 ' CE2' ' O ' ' A' ' 78' ' ' PRO . 54.3 m-85 -127.16 153.46 46.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.471 1.107 . . . . 0.0 111.034 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.432 ' O ' ' HB3' ' A' ' 71' ' ' ALA . 8.3 mtt-85 -122.95 -176.0 3.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.136 . . . . 0.0 110.312 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -54.07 146.51 14.53 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 54.43 44.82 77.14 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.49 1.119 . . . . 0.0 110.981 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 68' ' ' ARG . . . -122.06 155.7 35.09 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.457 0.739 . . . . 0.0 109.331 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 25.0 tt0 -110.38 136.54 49.39 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.293 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.413 ' CB ' ' CE2' ' A' ' 67' ' ' TYR . . . -142.42 127.93 19.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 0.0 109.267 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.424 ' O ' ' HB3' ' A' ' 19' ' ' ALA . 1.3 m-20 -69.34 158.53 34.88 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.275 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.425 ' CG ' ' HA ' ' A' ' 21' ' ' MET . 20.5 ttp-105 -69.87 60.67 0.17 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . 0.618 ' C ' ' CD2' ' A' ' 76' ' ' HIS . 0.1 OUTLIER -174.13 -39.24 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.464 1.103 . . . . 0.0 109.633 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 34.4 p -59.09 150.73 60.51 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.414 1.071 . . . . 0.0 110.408 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.547 ' HB2' ' CD2' ' A' ' 66' ' ' PHE . 18.3 Cg_endo -75.01 152.76 41.11 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.533 1.807 . . . . 0.0 111.01 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.412 HD11 ' HA ' ' A' ' 19' ' ' ALA . 3.5 mt -106.03 -53.87 2.57 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.445 1.091 . . . . 0.0 109.3 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.756 HG11 HG21 ' A' ' 30' ' ' VAL . 0.0 OUTLIER -129.99 140.72 48.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.299 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.56 ' HB2' ' CE2' ' A' ' 66' ' ' PHE . 1.1 tt0 -96.37 124.41 40.36 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.519 1.137 . . . . 0.0 110.35 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -90.97 155.04 19.02 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.464 1.102 . . . . 0.0 110.994 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -70.26 161.9 29.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.315 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.19 142.58 56.66 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 0.0 110.252 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -75.31 153.18 38.04 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.313 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -106.26 124.73 50.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.3 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.29 109.44 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.048 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -163.38 94.25 0.79 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 64.39 155.89 0.07 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.46 1.1 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -172.44 168.89 5.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.11 . . . . 0.0 110.331 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -147.51 146.2 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.543 1.152 . . . . 0.0 110.302 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -156.03 151.6 27.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 0.0 109.971 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -115.71 133.39 56.08 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 16.4 t -105.66 164.76 11.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 0.0 110.026 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -158.13 94.62 0.14 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.479 1.112 . . . . 0.0 110.982 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 158.87 41.94 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.5 1.789 . . . . 0.0 110.99 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 32.8 t -159.39 173.77 15.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 0.0 109.969 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.1 t -102.13 165.79 10.96 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.115 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.54 1.15 . . . . 0.0 110.967 -179.97 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.7 p -163.63 139.0 6.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.482 0.754 . . . . 0.0 110.024 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -133.43 159.21 41.03 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.51 1.131 . . . . 0.0 110.009 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.0 139.87 8.16 Favored Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -173.15 102.47 0.13 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.972 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.2 p -117.61 153.86 32.56 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 1.106 . . . . 0.0 109.98 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -94.37 74.87 1.03 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.502 1.126 . . . . 0.0 111.005 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 78.8 t -133.82 102.08 4.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.431 0.724 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -95.86 -57.8 2.27 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.011 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 49.0 m 61.26 159.14 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.978 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 8.8 mp0 -144.18 142.74 30.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 0.0 110.323 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.559 ' O ' HG22 ' A' ' 13' ' ' THR . 0.3 OUTLIER -135.09 81.47 1.9 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.342 179.939 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.559 HG22 ' O ' ' A' ' 12' ' ' GLU . 11.6 t 44.89 -168.38 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 110.398 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -127.41 159.56 34.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 110.312 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 162.44 -49.81 0.33 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 111.017 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -87.27 171.51 42.26 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.06 130.91 13.64 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.524 1.802 . . . . 0.0 110.941 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 mt -89.58 117.76 28.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 109.326 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.442 ' HB2' HD21 ' A' ' 79' ' ' LEU . . . -42.55 148.44 0.53 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 109.332 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -30.78 6.86 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.49 1.784 . . . . 0.0 111.004 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.418 ' CG ' ' N ' ' A' ' 22' ' ' THR . 11.3 ttp -179.18 156.69 0.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 111.015 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.881 HG23 ' O ' ' A' ' 73' ' ' ALA . 58.6 m -58.0 106.83 0.4 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 0.0 110.383 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -136.51 -156.85 7.55 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.404 ' O ' ' HA ' ' A' ' 45' ' ' MET . 26.4 m -124.1 131.85 53.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.534 0.785 . . . . 0.0 110.396 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ILE . . . . . 0.687 HD13 ' HG2' ' A' ' 45' ' ' MET . 11.5 mm -71.72 113.75 9.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 0.0 109.295 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.5 tp10 -89.24 -53.07 4.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.542 1.151 . . . . 0.0 110.306 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.2 mmtm -131.62 157.07 44.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.34 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.548 HG22 ' HG2' ' A' ' 43' ' ' MET . 28.0 t -137.86 98.39 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -99.54 51.27 0.93 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.56 1.163 . . . . 0.0 110.957 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.491 ' CG1' ' HA ' ' A' ' 42' ' ' LEU . 30.9 m -150.4 -175.48 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.45 1.094 . . . . 0.0 109.265 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.504 ' O ' ' CG1' ' A' ' 62' ' ' VAL . 0.0 OUTLIER -177.99 -165.51 0.1 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.28 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.411 ' O ' ' CD ' ' A' ' 31' ' ' LYS . . . -99.08 143.38 29.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.519 1.137 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 63.52 26.48 69.71 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.422 ' O ' ' HA ' ' A' ' 61' ' ' THR . 0.4 OUTLIER -100.7 157.39 16.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.505 0.768 . . . . 0.0 109.286 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.45 132.41 56.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.56 1.163 . . . . 0.0 109.315 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 34.6 m -131.94 162.32 39.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.453 1.096 . . . . 0.0 109.314 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.445 ' CD ' ' N ' ' A' ' 37' ' ' LYS . 0.0 OUTLIER -107.67 133.94 51.37 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 0.0 109.305 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -40.49 113.7 0.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.277 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.87 42.59 3.05 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.455 1.097 . . . . 0.0 111.019 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -109.99 144.48 38.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.772 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.5 p -71.1 83.33 0.71 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.987 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.491 ' HA ' ' CG1' ' A' ' 30' ' ' VAL . 62.9 mt -54.28 -70.77 0.09 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 109.258 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' MET . . . . . 0.548 ' HG2' HG22 ' A' ' 28' ' ' VAL . 0.0 OUTLIER -139.96 176.41 8.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.55 1.156 . . . . 0.0 111.024 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.3 t -126.0 132.68 70.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.32 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' MET . . . . . 0.687 ' HG2' HD13 ' A' ' 25' ' ' ILE . 85.7 mtp -117.17 166.04 12.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.537 1.148 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.702 HD13 ' HA ' ' A' ' 51' ' ' GLU . 15.0 mm -139.09 106.94 3.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.459 1.099 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.66 -98.83 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.438 ' C ' ' N ' ' A' ' 50' ' ' MET . 0.1 OUTLIER -93.83 87.12 5.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 0.0 110.974 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 41.35 29.11 0.08 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.438 ' N ' ' C ' ' A' ' 48' ' ' MET . 2.5 mmt -128.52 150.82 50.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.702 ' HA ' HD13 ' A' ' 46' ' ' ILE . 10.8 tt0 -105.36 139.45 39.97 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -132.74 133.53 43.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.565 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 85.0 m -99.75 101.47 12.64 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.36 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.486 ' O ' HG22 ' A' ' 54' ' ' ILE . 1.9 mp -71.11 95.05 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.445 1.09 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -80.77 151.16 28.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.572 1.17 . . . . 0.0 109.293 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.485 ' HA ' HD11 ' A' ' 42' ' ' LEU . 0.2 OUTLIER -66.2 140.52 96.92 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.143 . . . . 0.0 109.957 -179.968 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -31.06 6.44 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 2.7 pttt -161.39 172.74 16.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -78.52 120.74 23.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.479 1.112 . . . . 0.0 109.321 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . -161.95 169.36 37.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' THR . . . . . 0.422 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 2.2 m -104.27 104.51 14.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 0.758 . . . . 0.0 110.396 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.504 ' CG1' ' O ' ' A' ' 31' ' ' LYS . 66.0 t -44.89 116.23 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 109.3 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.0 tttm -74.19 -56.37 4.98 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.421 ' HG2' ' N ' ' A' ' 65' ' ' VAL . 0.1 OUTLIER -157.79 147.13 19.79 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.304 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.421 ' N ' ' HG2' ' A' ' 64' ' ' LYS . 11.7 t -95.9 145.85 7.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.135 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 56.9 m-85 -106.25 -25.98 11.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.519 1.137 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' TYR . . . . . 0.493 ' CD1' ' HA ' ' A' ' 79' ' ' LEU . 51.9 m-85 -118.85 152.02 37.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.4 mtt180 -131.74 -177.28 4.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.302 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -53.9 144.66 18.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.462 1.101 . . . . 0.0 110.328 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 51.23 53.42 27.75 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -121.32 159.07 26.83 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.494 0.761 . . . . 0.0 109.314 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 2.4 tt0 -95.3 111.21 23.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.881 ' O ' HG23 ' A' ' 22' ' ' THR . . . -85.79 164.3 17.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.451 1.094 . . . . 0.0 109.327 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . 0.602 ' HB2' HG21 ' A' ' 77' ' ' THR . 0.5 OUTLIER -114.18 168.95 9.38 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.523 1.139 . . . . 0.0 109.324 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' HG2' ' HA ' ' A' ' 21' ' ' MET . 0.0 OUTLIER -81.45 99.6 8.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 73.81 75.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . 0.602 HG21 ' HB2' ' A' ' 74' ' ' ASN . 0.0 OUTLIER -139.59 153.76 70.67 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.429 -179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.42 ' HD2' ' OG1' ' A' ' 77' ' ' THR . 18.1 Cg_endo -75.08 95.2 0.97 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.441 1.758 . . . . 0.0 111.005 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.493 ' HA ' ' CD1' ' A' ' 67' ' ' TYR . 5.6 mt -71.67 -59.03 2.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.6 148.74 16.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 0.0 109.317 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -110.34 142.4 42.05 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 0.0 110.248 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -102.31 153.72 19.73 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -70.48 167.6 17.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.129 . . . . 0.0 110.296 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -88.45 101.98 14.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 0.0 110.31 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -81.52 145.96 30.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.128 . . . . 0.0 110.295 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -134.24 -49.46 0.79 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.554 1.159 . . . . 0.0 110.28 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -103.74 99.8 9.59 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.126 . . . . 0.0 109.967 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -95.73 94.11 7.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.426 1.078 . . . . 0.0 109.294 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 15.1 mttt -83.42 126.14 32.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.482 1.114 . . . . 0.0 109.265 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 7.6 ptt180 -140.68 153.8 46.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -118.59 132.12 56.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -59.85 4.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 0.0 110.004 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 61.54 77.4 0.33 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.547 1.154 . . . . 0.0 110.303 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.32 150.63 26.48 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.471 1.107 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -136.27 158.36 23.94 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.483 1.114 . . . . 0.0 111.002 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 161.49 38.81 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.464 1.77 . . . . 0.0 111.024 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -127.42 -60.33 1.19 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 109.992 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 27.2 p -55.12 145.17 21.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.13 . . . . 0.0 110.001 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 110.966 179.983 . . . . . . . . 0 0 . 1 stop_ save_